N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C17H24N4OS — CID 2549953

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NCC2(N3CCOCC3)CCCCC2)c2ccsc2n1
InChIInChI=1S/C17H24N4OS/c1-2-5-17(6-3-1,21-7-9-22-10-8-21)12-18-15-14-4-11-23-16(14)20-13-19-15/h4,11,13H,1-3,5-10,12H2,(H,18,19,20)
InChIKeyFHUWTOCMPLTSLU-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.14
Rot. Bonds4

About N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2549953) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2549953
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NCC2(N3CCOCC3)CCCCC2)c2ccsc2n1
InChIInChI=1S/C17H24N4OS/c1-2-5-17(6-3-1,21-7-9-22-10-8-21)12-18-15-14-4-11-23-16(14)20-13-19-15/h4,11,13H,1-3,5-10,12H2,(H,18,19,20)
InChIKeyFHUWTOCMPLTSLU-UHFFFAOYSA-N
XLogP3.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 2549953) is N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine is c1nc(NCC2(N3CCOCC3)CCCCC2)c2ccsc2n1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FHUWTOCMPLTSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-5-17(6-3-1,21-7-9-22-10-8-21)12-18-15-14-4-11-23-16(14)20-13-19-15/h4,11,13H,1-3,5-10,12H2,(H,18,19,20).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 332.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2549953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).