N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C25H32N4OS — CID 32705656

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1[C@H](C)CCC[C@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C25H32N4OS/c1-17-7-6-10-21(18(17)2)26-24-23-20(19-8-4-3-5-9-19)16-31-25(23)28-22(27-24)15-29-11-13-30-14-12-29/h3-5,8-9,16-18,21H,6-7,10-15H2,1-2H3,(H,26,27,28)/t17-,18-,21-/m1/s1
InChIKeyIYHXKSRTJBSOST-DBXWQHBBSA-N
MW436.63 g/mol
LogP5.43
Rot. Bonds5

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 32705656) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID32705656
Molecular FormulaC25H32N4OS
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1[C@H](C)CCC[C@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C25H32N4OS/c1-17-7-6-10-21(18(17)2)26-24-23-20(19-8-4-3-5-9-19)16-31-25(23)28-22(27-24)15-29-11-13-30-14-12-29/h3-5,8-9,16-18,21H,6-7,10-15H2,1-2H3,(H,26,27,28)/t17-,18-,21-/m1/s1
InChIKeyIYHXKSRTJBSOST-DBXWQHBBSA-N
XLogP5.43
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.63
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2554418
N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 16553194
2-(morpholin-4-ylmethyl)-5-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 16553174
N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2487092
2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16553286
N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4846737
(7R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 129419375
N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16605764
N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 112795354

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 32705656) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is C[C@@H]1[C@H](C)CCC[C@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IYHXKSRTJBSOST-DBXWQHBBSA-N. The full InChI is InChI=1S/C25H32N4OS/c1-17-7-6-10-21(18(17)2)26-24-23-20(19-8-4-3-5-9-19)16-31-25(23)28-22(27-24)15-29-11-13-30-14-12-29/h3-5,8-9,16-18,21H,6-7,10-15H2,1-2H3,(H,26,27,28)/t17-,18-,21-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 436.63 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 32705656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).