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

C9H14N4O — CID 136852211

IUPAC5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C9H14N4O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyQHHOIOVNHBQJAM-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.56
Rot. Bonds3

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

5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852211) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852211
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C9H14N4O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyQHHOIOVNHBQJAM-UHFFFAOYSA-N
XLogP0.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-[(1-amino-2-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 140329316
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
CID 135709694
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-(propylamino)-1H-pyrimidin-6-one
CID 135786482
5-amino-4-(diethylamino)-1H-pyrimidin-6-one
CID 135786486
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852211) is 5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is QHHOIOVNHBQJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 0.56, 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-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).