5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C11H18N4O — CID 136852230

IUPAC5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyGQNXMZSTVZKSIL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.34
Rot. Bonds5

About 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852230) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852230
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyGQNXMZSTVZKSIL-UHFFFAOYSA-N
XLogP1.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579
5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733816
5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750473
5-amino-4-(6-aminohexylamino)-1H-pyrimidin-6-one
CID 136755773
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757150
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786653
5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794531
5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817754
5-amino-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824088
5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825673

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852230) is 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCCC1(CNc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GQNXMZSTVZKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).