5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one

C11H18N4O — CID 136868729

IUPAC5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC1CCC1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyLRGWIJYGBMLESV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds4

About 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one

5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136868729) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
PubChem CID136868729
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC1CCC1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyLRGWIJYGBMLESV-UHFFFAOYSA-N
XLogP0.98
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
5-amino-4-(azepan-1-yl)-1H-pyrimidin-6-one
CID 135786491

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one (CID 136868729) is 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one is CCN(CC1CCC1)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LRGWIJYGBMLESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136868729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).