4-(2-methylpropylamino)pyrimidin-2-olate

C8H12N3O- — CID 171083586

IUPAC4-(2-methylpropylamino)pyrimidin-2-olate
SMILESCC(C)CNc1ccnc([O-])n1
InChIInChI=1S/C8H13N3O/c1-6(2)5-10-7-3-4-9-8(12)11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)/p-1
InChIKeyFYJBQIUCGAKDRW-UHFFFAOYSA-M
MW166.20 g/mol
LogP0.62
Rot. Bonds3

About 4-(2-methylpropylamino)pyrimidin-2-olate

4-(2-methylpropylamino)pyrimidin-2-olate (PubChem CID 171083586) has the molecular formula C8H12N3O- and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-(2-methylpropylamino)pyrimidin-2-olate.

Molecular Properties

Compound Name4-(2-methylpropylamino)pyrimidin-2-olate
PubChem CID171083586
Molecular FormulaC8H12N3O-
Molecular Weight166.20 g/mol
Exact Mass166.10
IUPAC Name4-(2-methylpropylamino)pyrimidin-2-olate
SMILESCC(C)CNc1ccnc([O-])n1
InChIInChI=1S/C8H13N3O/c1-6(2)5-10-7-3-4-9-8(12)11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)/p-1
InChIKeyFYJBQIUCGAKDRW-UHFFFAOYSA-M
XLogP0.62
TPSA60.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112883142
2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883165
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171
4-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine
CID 130920688
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883331
2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883170
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 62769511
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 79033671

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)pyrimidin-2-olate?
The IUPAC name of 4-(2-methylpropylamino)pyrimidin-2-olate (CID 171083586) is 4-(2-methylpropylamino)pyrimidin-2-olate.
What is the SMILES notation for 4-(2-methylpropylamino)pyrimidin-2-olate?
The canonical SMILES for 4-(2-methylpropylamino)pyrimidin-2-olate is CC(C)CNc1ccnc([O-])n1.
What is the InChIKey of 4-(2-methylpropylamino)pyrimidin-2-olate?
The InChIKey is FYJBQIUCGAKDRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13N3O/c1-6(2)5-10-7-3-4-9-8(12)11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)/p-1.
What are the key properties of 4-(2-methylpropylamino)pyrimidin-2-olate?
4-(2-methylpropylamino)pyrimidin-2-olate has a molecular weight of 166.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)pyrimidin-2-olate is sourced from PubChem (CID 171083586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).