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

C10H16N4O — CID 136857185

IUPAC5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2N)CCC1
InChIInChI=1S/C10H16N4O/c1-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyMLTNORNQIWEPMI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds3

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

5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136857185) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136857185
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2N)CCC1
InChIInChI=1S/C10H16N4O/c1-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyMLTNORNQIWEPMI-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854
5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696609
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-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757150
5-amino-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762594
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136857185) is 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2nc[nH]c(=O)c2N)CCC1.
What is the InChIKey of 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is MLTNORNQIWEPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).