6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine

C17H21N3 — CID 63078471

IUPAC6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C2(c3ccccc3)CC2)nc(N)c1C(C)C
InChIInChI=1S/C17H21N3/c1-11(2)14-12(3)19-16(20-15(14)18)17(9-10-17)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyNQSPIPSYDTVJKC-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.57
Rot. Bonds3

About 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine

6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63078471) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID63078471
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C2(c3ccccc3)CC2)nc(N)c1C(C)C
InChIInChI=1S/C17H21N3/c1-11(2)14-12(3)19-16(20-15(14)18)17(9-10-17)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyNQSPIPSYDTVJKC-UHFFFAOYSA-N
XLogP3.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine (CID 63078471) is 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine is Cc1nc(C2(c3ccccc3)CC2)nc(N)c1C(C)C.
What is the InChIKey of 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is NQSPIPSYDTVJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11(2)14-12(3)19-16(20-15(14)18)17(9-10-17)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine?
6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63078471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).