2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine

C15H25N5 — CID 80993174

IUPAC2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H25N5/c1-10(2)19-6-8-20(9-7-19)15-11(3)13(16)17-14(18-15)12-4-5-12/h10,12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyDQNYLWKFFVGSKE-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.78
Rot. Bonds3

About 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine

2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80993174) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80993174
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H25N5/c1-10(2)19-6-8-20(9-7-19)15-11(3)13(16)17-14(18-15)12-4-5-12/h10,12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyDQNYLWKFFVGSKE-UHFFFAOYSA-N
XLogP1.78
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 80993174) is 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1N1CCN(C(C)C)CC1.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is DQNYLWKFFVGSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-10(2)19-6-8-20(9-7-19)15-11(3)13(16)17-14(18-15)12-4-5-12/h10,12H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).