N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C17H27N3O — CID 106472261

IUPACN-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C(C)C)CC2)nc2c1COCC2
InChIInChI=1S/C17H27N3O/c1-11(2)12-4-6-13(7-5-12)16-19-15-8-9-21-10-14(15)17(18-3)20-16/h11-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyOOYJLNAEBFOACU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.52
Rot. Bonds3

About N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472261) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472261
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C(C)C)CC2)nc2c1COCC2
InChIInChI=1S/C17H27N3O/c1-11(2)12-4-6-13(7-5-12)16-19-15-8-9-21-10-14(15)17(18-3)20-16/h11-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyOOYJLNAEBFOACU-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472179
N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191188
2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696365
[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473502
N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472404
2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472091
2-tert-butyl-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472086
5-iodo-N-methyl-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66300334
N-methyl-2-(4-methylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472117
2-(3-methylcyclopentyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472620
2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472747
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472261) is N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CNc1nc(C2CCC(C(C)C)CC2)nc2c1COCC2.
What is the InChIKey of N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is OOYJLNAEBFOACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11(2)12-4-6-13(7-5-12)16-19-15-8-9-21-10-14(15)17(18-3)20-16/h11-13H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.52, 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)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).