4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C21H27ClN6OS — CID 86623549

IUPAC4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1nccn1CC1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C21H27ClN6OS/c1-15-23-4-7-28(15)13-16-2-5-26(6-3-16)14-17-12-18-19(30-17)20(25-21(22)24-18)27-8-10-29-11-9-27/h4,7,12,16H,2-3,5-6,8-11,13-14H2,1H3
InChIKeyCCUICSPFONXABM-UHFFFAOYSA-N
MW447.01 g/mol
LogP3.60
Rot. Bonds5

About 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 86623549) has the molecular formula C21H27ClN6OS and a molecular weight of 447.01 g/mol. Its IUPAC name is 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID86623549
Molecular FormulaC21H27ClN6OS
Molecular Weight447.01 g/mol
Exact Mass446.17
IUPAC Name4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1nccn1CC1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C21H27ClN6OS/c1-15-23-4-7-28(15)13-16-2-5-26(6-3-16)14-17-12-18-19(30-17)20(25-21(22)24-18)27-8-10-29-11-9-27/h4,7,12,16H,2-3,5-6,8-11,13-14H2,1H3
InChIKeyCCUICSPFONXABM-UHFFFAOYSA-N
XLogP3.60
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.01
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510
4-[2-chloro-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494038
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-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 76543090
N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine
CID 87197844
2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
CID 140527315
(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
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-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
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 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 86623549) is 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is Cc1nccn1CC1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is CCUICSPFONXABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6OS/c1-15-23-4-7-28(15)13-16-2-5-26(6-3-16)14-17-12-18-19(30-17)20(25-21(22)24-18)27-8-10-29-11-9-27/h4,7,12,16H,2-3,5-6,8-11,13-14H2,1H3.
What are the key properties of 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 447.01 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 86623549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).