4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one

C15H26N4O — CID 136978947

IUPAC4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2(CN)CCCCC2C)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-10(2)14-17-12(8-13(20)18-14)19-15(9-16)7-5-4-6-11(15)3/h8,10-11H,4-7,9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyFZLDUXVVWJWQEV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds4

About 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136978947) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136978947
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2(CN)CCCCC2C)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-10(2)14-17-12(8-13(20)18-14)19-15(9-16)7-5-4-6-11(15)3/h8,10-11H,4-7,9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyFZLDUXVVWJWQEV-UHFFFAOYSA-N
XLogP2.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136978947) is 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2(CN)CCCCC2C)cc(=O)[nH]1.
What is the InChIKey of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FZLDUXVVWJWQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)14-17-12(8-13(20)18-14)19-15(9-16)7-5-4-6-11(15)3/h8,10-11H,4-7,9,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).