N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine

C12H19N3O — CID 66324981

IUPACN-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
SMILESCCC(CC1CC1)Nc1cc(OC)ncn1
InChIInChI=1S/C12H19N3O/c1-3-10(6-9-4-5-9)15-11-7-12(16-2)14-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyXLQODQLNGJTIID-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.48
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine

N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine (PubChem CID 66324981) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
PubChem CID66324981
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
SMILESCCC(CC1CC1)Nc1cc(OC)ncn1
InChIInChI=1S/C12H19N3O/c1-3-10(6-9-4-5-9)15-11-7-12(16-2)14-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyXLQODQLNGJTIID-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
CID 113292957
2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
CID 66327855
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 66318731
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
[2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953246
4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
CID 106162039
N-hex-1-yn-3-yl-6-methoxypyrimidin-4-amine
CID 106231578
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine (CID 66324981) is N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine is CCC(CC1CC1)Nc1cc(OC)ncn1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine?
The InChIKey is XLQODQLNGJTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10(6-9-4-5-9)15-11-7-12(16-2)14-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine?
N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66324981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).