N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine

C17H24ClN5O2S — CID 86619261

IUPACN-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine
SMILESClc1nc(N2CCOCC2)c2sc(CNCCN3CCOCC3)cc2n1
InChIInChI=1S/C17H24ClN5O2S/c18-17-20-14-11-13(12-19-1-2-22-3-7-24-8-4-22)26-15(14)16(21-17)23-5-9-25-10-6-23/h11,19H,1-10,12H2
InChIKeyKWARZIPIDJLKCV-UHFFFAOYSA-N
MW397.93 g/mol
LogP1.60
Rot. Bonds6

About N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine

N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 86619261) has the molecular formula C17H24ClN5O2S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID86619261
Molecular FormulaC17H24ClN5O2S
Molecular Weight397.93 g/mol
Exact Mass397.13
IUPAC NameN-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine
SMILESClc1nc(N2CCOCC2)c2sc(CNCCN3CCOCC3)cc2n1
InChIInChI=1S/C17H24ClN5O2S/c18-17-20-14-11-13(12-19-1-2-22-3-7-24-8-4-22)26-15(14)16(21-17)23-5-9-25-10-6-23/h11,19H,1-10,12H2
InChIKeyKWARZIPIDJLKCV-UHFFFAOYSA-N
XLogP1.60
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 86618450
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
4-[2-chloro-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86618427
4-[2-chloro-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine
CID 86623542
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
4-[2-chloro-6-[(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86619258
2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
CID 140527315
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-4-phenylpiperidin-4-ol
CID 86623539
(3S)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494049
(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494048

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine (CID 86619261) is N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine is Clc1nc(N2CCOCC2)c2sc(CNCCN3CCOCC3)cc2n1.
What is the InChIKey of N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is KWARZIPIDJLKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O2S/c18-17-20-14-11-13(12-19-1-2-22-3-7-24-8-4-22)26-15(14)16(21-17)23-5-9-25-10-6-23/h11,19H,1-10,12H2.
What are the key properties of N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 397.93 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 86619261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).