N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C17H27N3O — CID 106472404

IUPACN-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CCC(CC)CC2)nc2c1COCC2
InChIInChI=1S/C17H27N3O/c1-3-12-5-7-13(8-6-12)16-19-15-9-10-21-11-14(15)17(20-16)18-4-2/h12-13H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyLRBFDLZORUPZNR-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.66
Rot. Bonds4

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

N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472404) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472404
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CCC(CC)CC2)nc2c1COCC2
InChIInChI=1S/C17H27N3O/c1-3-12-5-7-13(8-6-12)16-19-15-9-10-21-11-14(15)17(20-16)18-4-2/h12-13H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyLRBFDLZORUPZNR-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(3-methylcyclopentyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472620
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472261
N-ethyl-2-(2-methoxypropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472464
[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473502
2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193246
2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472619
2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472353
2-(3,4-dimethylphenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472702
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472396
N-ethyl-2-(2-methoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472447

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472404) is N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(C2CCC(CC)CC2)nc2c1COCC2.
What is the InChIKey of N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is LRBFDLZORUPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-12-5-7-13(8-6-12)16-19-15-9-10-21-11-14(15)17(20-16)18-4-2/h12-13H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).