2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine

C10H16N4 — CID 94586892

IUPAC2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN[C@@H](C)C2)n1
InChIInChI=1S/C10H16N4/c1-8-7-14(6-5-11-8)10-3-4-12-9(2)13-10/h3-4,8,11H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyKAQZCLCHCWZGAE-QMMMGPOBSA-N
MW192.27 g/mol
LogP0.58
Rot. Bonds1

About 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine

2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 94586892) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
PubChem CID94586892
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN[C@@H](C)C2)n1
InChIInChI=1S/C10H16N4/c1-8-7-14(6-5-11-8)10-3-4-12-9(2)13-10/h3-4,8,11H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyKAQZCLCHCWZGAE-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine (CID 94586892) is 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine is Cc1nccc(N2CCN[C@@H](C)C2)n1.
What is the InChIKey of 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is KAQZCLCHCWZGAE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4/c1-8-7-14(6-5-11-8)10-3-4-12-9(2)13-10/h3-4,8,11H,5-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine?
2-methyl-4-[(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 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 94586892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).