N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine

C12H19N3 — CID 103703591

IUPACN-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC(C)(C)C2CC2)ncn1
InChIInChI=1S/C12H19N3/c1-4-10-7-11(14-8-13-10)15-12(2,3)9-5-6-9/h7-9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyGVKQQXFHQGTNJY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.64
Rot. Bonds4

About N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine

N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine (PubChem CID 103703591) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine
PubChem CID103703591
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC(C)(C)C2CC2)ncn1
InChIInChI=1S/C12H19N3/c1-4-10-7-11(14-8-13-10)15-12(2,3)9-5-6-9/h7-9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyGVKQQXFHQGTNJY-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine (CID 103703591) is N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine is CCc1cc(NC(C)(C)C2CC2)ncn1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is GVKQQXFHQGTNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-10-7-11(14-8-13-10)15-12(2,3)9-5-6-9/h7-9H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine?
N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 103703591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).