3-methyl-2-piperazin-1-yl-4H-pyrimidine

C9H16N4 — CID 143573084

IUPAC3-methyl-2-piperazin-1-yl-4H-pyrimidine
SMILESCN1CC=CN=C1N1CCNCC1
InChIInChI=1S/C9H16N4/c1-12-6-2-3-11-9(12)13-7-4-10-5-8-13/h2-3,10H,4-8H2,1H3
InChIKeyXIEXGLKWVKVSLZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.29
Rot. Bonds

About 3-methyl-2-piperazin-1-yl-4H-pyrimidine

3-methyl-2-piperazin-1-yl-4H-pyrimidine (PubChem CID 143573084) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-2-piperazin-1-yl-4H-pyrimidine.

Molecular Properties

Compound Name3-methyl-2-piperazin-1-yl-4H-pyrimidine
PubChem CID143573084
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-methyl-2-piperazin-1-yl-4H-pyrimidine
SMILESCN1CC=CN=C1N1CCNCC1
InChIInChI=1S/C9H16N4/c1-12-6-2-3-11-9(12)13-7-4-10-5-8-13/h2-3,10H,4-8H2,1H3
InChIKeyXIEXGLKWVKVSLZ-UHFFFAOYSA-N
XLogP-0.29
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-4-piperazin-1-yl-4H-pyrimidine
CID 21761466
2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine
CID 23154838
2-piperazin-1-yl-4H-pyrimidine-3-carbonitrile
CID 53892295
2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine
CID 54503418
3-piperazin-2-yl-4H-pyrimidine
CID 57229577
2-piperazin-1-yl-1H-1,3-diazepine
CID 69037173
2-Piperazin-1-yl-1,4-dihydropyrimidine
CID 89128712
N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide
CID 89336887
3-(piperazin-1-ylmethyl)-4H-pyrimidine
CID 90821929
4-Piperazin-1-yl-1,4-dihydropyrimidine
CID 91011480
3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine
CID 91423819

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-piperazin-1-yl-4H-pyrimidine?
The IUPAC name of 3-methyl-2-piperazin-1-yl-4H-pyrimidine (CID 143573084) is 3-methyl-2-piperazin-1-yl-4H-pyrimidine.
What is the SMILES notation for 3-methyl-2-piperazin-1-yl-4H-pyrimidine?
The canonical SMILES for 3-methyl-2-piperazin-1-yl-4H-pyrimidine is CN1CC=CN=C1N1CCNCC1.
What is the InChIKey of 3-methyl-2-piperazin-1-yl-4H-pyrimidine?
The InChIKey is XIEXGLKWVKVSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-6-2-3-11-9(12)13-7-4-10-5-8-13/h2-3,10H,4-8H2,1H3.
What are the key properties of 3-methyl-2-piperazin-1-yl-4H-pyrimidine?
3-methyl-2-piperazin-1-yl-4H-pyrimidine has a molecular weight of 180.25 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-piperazin-1-yl-4H-pyrimidine is sourced from PubChem (CID 143573084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).