1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine

C20H27N5S — CID 135160461

IUPAC1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine
SMILES[H]/N=C/C1=C(N)CCN(Cc2nc(C)nc3sc(C4CCCCC4)cc23)C1
InChIInChI=1S/C20H27N5S/c1-13-23-18(12-25-8-7-17(22)15(10-21)11-25)16-9-19(26-20(16)24-13)14-5-3-2-4-6-14/h9-10,14,21H,2-8,11-12,22H2,1H3/b21-10+
InChIKeyJVQIXHUQMXRPSC-UFFVCSGVSA-N
MW369.54 g/mol
LogP4.12
Rot. Bonds4

About 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine

1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 135160461) has the molecular formula C20H27N5S and a molecular weight of 369.54 g/mol. Its IUPAC name is 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID135160461
Molecular FormulaC20H27N5S
Molecular Weight369.54 g/mol
Exact Mass369.20
IUPAC Name1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine
SMILES[H]/N=C/C1=C(N)CCN(Cc2nc(C)nc3sc(C4CCCCC4)cc23)C1
InChIInChI=1S/C20H27N5S/c1-13-23-18(12-25-8-7-17(22)15(10-21)11-25)16-9-19(26-20(16)24-13)14-5-3-2-4-6-14/h9-10,14,21H,2-8,11-12,22H2,1H3/b21-10+
InChIKeyJVQIXHUQMXRPSC-UFFVCSGVSA-N
XLogP4.12
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine (CID 135160461) is 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine is [H]/N=C/C1=C(N)CCN(Cc2nc(C)nc3sc(C4CCCCC4)cc23)C1.
What is the InChIKey of 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is JVQIXHUQMXRPSC-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H27N5S/c1-13-23-18(12-25-8-7-17(22)15(10-21)11-25)16-9-19(26-20(16)24-13)14-5-3-2-4-6-14/h9-10,14,21H,2-8,11-12,22H2,1H3/b21-10+.
What are the key properties of 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine?
1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 369.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 135160461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).