1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine

C12H19N3 — CID 65420227

IUPAC1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(C2CC2C)nc1
InChIInChI=1S/C12H19N3/c1-3-10(13)5-9-6-14-12(15-7-9)11-4-8(11)2/h6-8,10-11H,3-5,13H2,1-2H3
InChIKeyVQTOGYFJQVBJAZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.88
Rot. Bonds4

About 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine

1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine (PubChem CID 65420227) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine
PubChem CID65420227
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(C2CC2C)nc1
InChIInChI=1S/C12H19N3/c1-3-10(13)5-9-6-14-12(15-7-9)11-4-8(11)2/h6-8,10-11H,3-5,13H2,1-2H3
InChIKeyVQTOGYFJQVBJAZ-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropyl)pyrimidin-5-yl]butan-2-amine
CID 62757730
5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
CID 113388464
1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine
CID 62757918
1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine
CID 114597432
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine
CID 63250675
1-[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)pyrimidin-5-yl]butan-2-amine
CID 106602007
1-[2-(1-ethoxyethyl)pyrimidin-5-yl]butan-2-amine
CID 64535247
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551
1-[2-(2-methylbutylsulfanyl)pyrimidin-5-yl]butan-2-amine
CID 107762445
1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine
CID 107924265
1-[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]butan-2-amine
CID 65137031
2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde
CID 65421101

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine?
The IUPAC name of 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine (CID 65420227) is 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine?
The canonical SMILES for 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine is CCC(N)Cc1cnc(C2CC2C)nc1.
What is the InChIKey of 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine?
The InChIKey is VQTOGYFJQVBJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-10(13)5-9-6-14-12(15-7-9)11-4-8(11)2/h6-8,10-11H,3-5,13H2,1-2H3.
What are the key properties of 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine?
1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine is sourced from PubChem (CID 65420227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).