N-butan-2-yl-6-cyclobutylpyrimidin-4-amine

C12H19N3 — CID 126848123

IUPACN-butan-2-yl-6-cyclobutylpyrimidin-4-amine
SMILESCCC(C)Nc1cc(C2CCC2)ncn1
InChIInChI=1S/C12H19N3/c1-3-9(2)15-12-7-11(13-8-14-12)10-5-4-6-10/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyCLOMXOVSDGITGT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.95
Rot. Bonds4

About N-butan-2-yl-6-cyclobutylpyrimidin-4-amine

N-butan-2-yl-6-cyclobutylpyrimidin-4-amine (PubChem CID 126848123) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-butan-2-yl-6-cyclobutylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-cyclobutylpyrimidin-4-amine
PubChem CID126848123
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-butan-2-yl-6-cyclobutylpyrimidin-4-amine
SMILESCCC(C)Nc1cc(C2CCC2)ncn1
InChIInChI=1S/C12H19N3/c1-3-9(2)15-12-7-11(13-8-14-12)10-5-4-6-10/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyCLOMXOVSDGITGT-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopentyl-N-propan-2-ylpyrimidin-4-amine
CID 126848182
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid
CID 126848139
N-butan-2-yl-6-(cyclopropylmethyl)pyrimidin-4-amine
CID 126848220
6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 126848098
1-N-(6-cyclopropylpyrimidin-4-yl)propane-1,2-diamine
CID 83830261
N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
CID 1235439
N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine
CID 69150898
1-(6-cyclobutylpyrimidin-4-yl)propan-2-amine
CID 83847176
2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
CID 126848131
4,6-dicyclopentylpyrimidine
CID 71817735
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849522

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-cyclobutylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-cyclobutylpyrimidin-4-amine (CID 126848123) is N-butan-2-yl-6-cyclobutylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-cyclobutylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-cyclobutylpyrimidin-4-amine is CCC(C)Nc1cc(C2CCC2)ncn1.
What is the InChIKey of N-butan-2-yl-6-cyclobutylpyrimidin-4-amine?
The InChIKey is CLOMXOVSDGITGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-9(2)15-12-7-11(13-8-14-12)10-5-4-6-10/h7-10H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-butan-2-yl-6-cyclobutylpyrimidin-4-amine?
N-butan-2-yl-6-cyclobutylpyrimidin-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-cyclobutylpyrimidin-4-amine is sourced from PubChem (CID 126848123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).