N-methyl-4-piperazin-1-ylpyrimidin-2-amine

C9H15N5 — CID 80838050

IUPACN-methyl-4-piperazin-1-ylpyrimidin-2-amine
SMILESCNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5/c1-10-9-12-3-2-8(13-9)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3,(H,10,12,13)
InChIKeyJEIHXNYPJNYSJL-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.07
Rot. Bonds2

About N-methyl-4-piperazin-1-ylpyrimidin-2-amine

N-methyl-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 80838050) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-methyl-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID80838050
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN-methyl-4-piperazin-1-ylpyrimidin-2-amine
SMILESCNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5/c1-10-9-12-3-2-8(13-9)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3,(H,10,12,13)
InChIKeyJEIHXNYPJNYSJL-UHFFFAOYSA-N
XLogP-0.07
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 18698026
1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
(1S,2S,4S)-4-amino-2-[[4-(1,4-diazepan-1-yl)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 167880237
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine
CID 166312968
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-4-piperazin-1-ylpyrimidin-2-amine (CID 80838050) is N-methyl-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-4-piperazin-1-ylpyrimidin-2-amine is CNc1nccc(N2CCNCC2)n1.
What is the InChIKey of N-methyl-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is JEIHXNYPJNYSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-10-9-12-3-2-8(13-9)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3,(H,10,12,13).
What are the key properties of N-methyl-4-piperazin-1-ylpyrimidin-2-amine?
N-methyl-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 193.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 80838050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).