N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C16H25N3S — CID 83191188

IUPACN-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C(C)C)CC2)nc2c1CSC2
InChIInChI=1S/C16H25N3S/c1-10(2)11-4-6-12(7-5-11)15-18-14-9-20-8-13(14)16(17-3)19-15/h10-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyIUKXVYICBPQVKF-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.19
Rot. Bonds3

About N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191188) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191188
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C(C)C)CC2)nc2c1CSC2
InChIInChI=1S/C16H25N3S/c1-10(2)11-4-6-12(7-5-11)15-18-14-9-20-8-13(14)16(17-3)19-15/h10-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyIUKXVYICBPQVKF-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191188) is N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(C2CCC(C(C)C)CC2)nc2c1CSC2.
What is the InChIKey of N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is IUKXVYICBPQVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-10(2)11-4-6-12(7-5-11)15-18-14-9-20-8-13(14)16(17-3)19-15/h10-12H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 291.46 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).