4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine

C10H14Cl2N4 — CID 57212261

IUPAC4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(N2CCNCC2C)nc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-6-5-13-3-4-16(6)10-14-8(11)7(2)9(12)15-10/h6,13H,3-5H2,1-2H3
InChIKeyXUOVINPKTIOGEE-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.89
Rot. Bonds1

About 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine

4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine (PubChem CID 57212261) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
PubChem CID57212261
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(N2CCNCC2C)nc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-6-5-13-3-4-16(6)10-14-8(11)7(2)9(12)15-10/h6,13H,3-5H2,1-2H3
InChIKeyXUOVINPKTIOGEE-UHFFFAOYSA-N
XLogP1.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 86329330
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
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
CID 62673005
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 112635446
1-chloro-4-[(2S)-2-methylpiperazin-1-yl]phthalazine
CID 174635973
4-methoxy-2-(2-methylpiperazin-1-yl)pyrimidine
CID 62672840

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine (CID 57212261) is 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine is Cc1c(Cl)nc(N2CCNCC2C)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine?
The InChIKey is XUOVINPKTIOGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4/c1-6-5-13-3-4-16(6)10-14-8(11)7(2)9(12)15-10/h6,13H,3-5H2,1-2H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine?
4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine has a molecular weight of 261.16 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 57212261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).