2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

C16H25N5 — CID 80960691

IUPAC2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(CC3CC3)CC2)nc(C2CC2)n1
InChIInChI=1S/C16H25N5/c1-17-14-10-15(19-16(18-14)13-4-5-13)21-8-6-20(7-9-21)11-12-2-3-12/h10,12-13H,2-9,11H2,1H3,(H,17,18,19)
InChIKeyQTMCBZYCHYUQRM-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.93
Rot. Bonds5

About 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 80960691) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID80960691
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(CC3CC3)CC2)nc(C2CC2)n1
InChIInChI=1S/C16H25N5/c1-17-14-10-15(19-16(18-14)13-4-5-13)21-8-6-20(7-9-21)11-12-2-3-12/h10,12-13H,2-9,11H2,1H3,(H,17,18,19)
InChIKeyQTMCBZYCHYUQRM-UHFFFAOYSA-N
XLogP1.93
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (CID 80960691) is 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCN(CC3CC3)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is QTMCBZYCHYUQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-17-14-10-15(19-16(18-14)13-4-5-13)21-8-6-20(7-9-21)11-12-2-3-12/h10,12-13H,2-9,11H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80960691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).