4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine

C10H15ClN4 — CID 86329330

IUPAC4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCNC[C@H]2C)nc1Cl
InChIInChI=1S/C10H15ClN4/c1-7-5-13-10(14-9(7)11)15-4-3-12-6-8(15)2/h5,8,12H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyWARAGHFHVBJBJC-MRVPVSSYSA-N
MW226.71 g/mol
LogP1.24
Rot. Bonds1

About 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine

4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine (PubChem CID 86329330) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
PubChem CID86329330
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCNC[C@H]2C)nc1Cl
InChIInChI=1S/C10H15ClN4/c1-7-5-13-10(14-9(7)11)15-4-3-12-6-8(15)2/h5,8,12H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyWARAGHFHVBJBJC-MRVPVSSYSA-N
XLogP1.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261
2-(2-methylpiperazin-1-yl)pyrimidin-5-ol
CID 67037782
5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine
CID 166010053
5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 116976419
5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 89340460
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 167442340
2-(2-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 175390349
5,6-dichloro-N-cyclopentyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine
CID 57287552
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine
CID 167450441
4-methoxy-2-(2-methylpiperazin-1-yl)pyrimidine
CID 62672840

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine (CID 86329330) is 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine is Cc1cnc(N2CCNC[C@H]2C)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The InChIKey is WARAGHFHVBJBJC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-5-13-10(14-9(7)11)15-4-3-12-6-8(15)2/h5,8,12H,3-4,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine has a molecular weight of 226.71 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 86329330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).