2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol

C19H28ClN5O2S — CID 57493976

IUPAC2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C19H28ClN5O2S/c1-19(2,13-26)25-5-3-23(4-6-25)12-14-11-15-16(28-14)17(22-18(20)21-15)24-7-9-27-10-8-24/h11,26H,3-10,12-13H2,1-2H3
InChIKeySUMSSBPFANJNAX-UHFFFAOYSA-N
MW425.99 g/mol
LogP2.07
Rot. Bonds5

About 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol

2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 57493976) has the molecular formula C19H28ClN5O2S and a molecular weight of 425.99 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
PubChem CID57493976
Molecular FormulaC19H28ClN5O2S
Molecular Weight425.99 g/mol
Exact Mass425.17
IUPAC Name2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C19H28ClN5O2S/c1-19(2,13-26)25-5-3-23(4-6-25)12-14-11-15-16(28-14)17(22-18(20)21-15)24-7-9-27-10-8-24/h11,26H,3-10,12-13H2,1-2H3
InChIKeySUMSSBPFANJNAX-UHFFFAOYSA-N
XLogP2.07
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.99
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
CID 57494058
2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
CID 140527315
4-[2-chloro-6-[[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87209439
4-[2-chloro-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-4-phenylpiperidin-4-ol
CID 86623539
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)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 57493974
4-[2-chloro-6-[(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86619258
4-[2-chloro-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494038
ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 143565866
(3S)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494049

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol (CID 57493976) is 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol is CC(C)(CO)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol?
The InChIKey is SUMSSBPFANJNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O2S/c1-19(2,13-26)25-5-3-23(4-6-25)12-14-11-15-16(28-14)17(22-18(20)21-15)24-7-9-27-10-8-24/h11,26H,3-10,12-13H2,1-2H3.
What are the key properties of 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol?
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 425.99 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 57493976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).