4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine

C13H21N5 — CID 80800020

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H21N5/c1-10-8-15-13(14)16-12(10)18-6-4-17(5-7-18)9-11-2-3-11/h8,11H,2-7,9H2,1H3,(H2,14,15,16)
InChIKeyTTWRZQOEBZVSIH-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.90
Rot. Bonds3

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine

4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine (PubChem CID 80800020) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
PubChem CID80800020
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H21N5/c1-10-8-15-13(14)16-12(10)18-6-4-17(5-7-18)9-11-2-3-11/h8,11H,2-7,9H2,1H3,(H2,14,15,16)
InChIKeyTTWRZQOEBZVSIH-UHFFFAOYSA-N
XLogP0.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine (CID 80800020) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine?
The InChIKey is TTWRZQOEBZVSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-8-15-13(14)16-12(10)18-6-4-17(5-7-18)9-11-2-3-11/h8,11H,2-7,9H2,1H3,(H2,14,15,16).
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80800020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).