1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine

C12H19N3 — CID 107924265

IUPAC1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2CC2(C)C)nc1
InChIInChI=1S/C12H19N3/c1-8(13)4-9-6-14-11(15-7-9)10-5-12(10,2)3/h6-8,10H,4-5,13H2,1-3H3
InChIKeyHNBHJYKTUBUNFN-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.88
Rot. Bonds3

About 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine

1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine (PubChem CID 107924265) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine
PubChem CID107924265
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2CC2(C)C)nc1
InChIInChI=1S/C12H19N3/c1-8(13)4-9-6-14-11(15-7-9)10-5-12(10,2)3/h6-8,10H,4-5,13H2,1-3H3
InChIKeyHNBHJYKTUBUNFN-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine (CID 107924265) is 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine is CC(N)Cc1cnc(C2CC2(C)C)nc1.
What is the InChIKey of 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is HNBHJYKTUBUNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(13)4-9-6-14-11(15-7-9)10-5-12(10,2)3/h6-8,10H,4-5,13H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine?
1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 107924265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).