4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C11H17N3O — CID 136824085

IUPAC4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)C1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O/c1-8(2)11(3-4-11)6-12-9-5-10(15)14-7-13-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyXNZJWGQGSJYCAV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.62
Rot. Bonds4

About 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one

4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136824085) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136824085
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)C1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O/c1-8(2)11(3-4-11)6-12-9-5-10(15)14-7-13-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyXNZJWGQGSJYCAV-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
6-[(Cyclopropylmethyl)amino]-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160406
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723585
4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731878
2-cyclopropyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750477
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846
4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794537

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136824085) is 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CC(C)C1(CNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is XNZJWGQGSJYCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)11(3-4-11)6-12-9-5-10(15)14-7-13-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136824085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).