N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine

C23H34ClN5O2S — CID 87197844

IUPACN-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine
SMILESCOCCNC(C1CC1)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C23H34ClN5O2S/c1-30-11-6-25-20(16-2-3-16)17-4-7-28(8-5-17)15-18-14-19-21(32-18)22(27-23(24)26-19)29-9-12-31-13-10-29/h14,16-17,20,25H,2-13,15H2,1H3
InChIKeyRHFKHYTUGHSTPZ-UHFFFAOYSA-N
MW480.08 g/mol
LogP3.41
Rot. Bonds9

About N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine

N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine (PubChem CID 87197844) has the molecular formula C23H34ClN5O2S and a molecular weight of 480.08 g/mol. Its IUPAC name is N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine
PubChem CID87197844
Molecular FormulaC23H34ClN5O2S
Molecular Weight480.08 g/mol
Exact Mass479.21
IUPAC NameN-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine
SMILESCOCCNC(C1CC1)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C23H34ClN5O2S/c1-30-11-6-25-20(16-2-3-16)17-4-7-28(8-5-17)15-18-14-19-21(32-18)22(27-23(24)26-19)29-9-12-31-13-10-29/h14,16-17,20,25H,2-13,15H2,1H3
InChIKeyRHFKHYTUGHSTPZ-UHFFFAOYSA-N
XLogP3.41
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.08
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-chloro-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 57493974
4-[2-chloro-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494038
4-[2-chloro-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510
4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623549
(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494048
(3S)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494049
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
tert-butyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
CID 57494058
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
(4aR)-6-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-pyrido[3,4-b][1,4]oxazin-2-one
CID 163766791
4-[2-chloro-6-[[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87209439

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine (CID 87197844) is N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine is COCCNC(C1CC1)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine?
The InChIKey is RHFKHYTUGHSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN5O2S/c1-30-11-6-25-20(16-2-3-16)17-4-7-28(8-5-17)15-18-14-19-21(32-18)22(27-23(24)26-19)29-9-12-31-13-10-29/h14,16-17,20,25H,2-13,15H2,1H3.
What are the key properties of N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine?
N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine has a molecular weight of 480.08 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine is sourced from PubChem (CID 87197844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).