5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one

C10H16N4O — CID 136977117

IUPAC5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O/c11-8-9(13-6-14-10(8)15)12-5-4-7-2-1-3-7/h6-7H,1-5,11H2,(H2,12,13,14,15)
InChIKeyXNNNFLNEPWAVRI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds4

About 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one (PubChem CID 136977117) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
PubChem CID136977117
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O/c11-8-9(13-6-14-10(8)15)12-5-4-7-2-1-3-7/h6-7H,1-5,11H2,(H2,12,13,14,15)
InChIKeyXNNNFLNEPWAVRI-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978128
5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136974194
5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
CID 137012703
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975879
5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975876
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974394
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974112

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one (CID 136977117) is 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one is Nc1c(NCCC2CCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one?
The InChIKey is XNNNFLNEPWAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-8-9(13-6-14-10(8)15)12-5-4-7-2-1-3-7/h6-7H,1-5,11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).