5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine

C10H16N4 — CID 104977378

IUPAC5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN[C@@H](C)C2)nc1
InChIInChI=1S/C10H16N4/c1-8-5-12-10(13-6-8)14-4-3-11-9(2)7-14/h5-6,9,11H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyFWWLIPXIUYPSCF-VIFPVBQESA-N
MW192.27 g/mol
LogP0.58
Rot. Bonds1

About 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine

5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 104977378) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
PubChem CID104977378
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN[C@@H](C)C2)nc1
InChIInChI=1S/C10H16N4/c1-8-5-12-10(13-6-8)14-4-3-11-9(2)7-14/h5-6,9,11H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyFWWLIPXIUYPSCF-VIFPVBQESA-N
XLogP0.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
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
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-propan-2-ylpyrimidin-2-amine
CID 58227165
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
2-Piperazinylpyrimidine dihydrochloride
CID 11680272

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine (CID 104977378) is 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine is Cc1cnc(N2CCN[C@@H](C)C2)nc1.
What is the InChIKey of 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is FWWLIPXIUYPSCF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4/c1-8-5-12-10(13-6-8)14-4-3-11-9(2)7-14/h5-6,9,11H,3-4,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine?
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine has a molecular weight of 192.27 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 104977378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).