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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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2,5-Dimethylpyrimidin-4-Amine
CID 445779
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
4-Amino-2-(diethylamino)-5-pyrimidinecarbonitrile
CID 2816412
Aminomethylpyrimidine
CID 6946837
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
4-(4-Methylpiperazin-1-yl)pyrimidine-2,5-diamine
CID 25130909
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
5-{[Ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
CID 448672

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).