4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine

C12H19ClN4 — CID 61268302

IUPAC4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCc1c(C)nc(N2CCN(C)CC2)nc1Cl
InChIInChI=1S/C12H19ClN4/c1-4-10-9(2)14-12(15-11(10)13)17-7-5-16(3)6-8-17/h4-8H2,1-3H3
InChIKeyPHSDWEATKBYYCL-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.75
Rot. Bonds2

About 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine

4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 61268302) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID61268302
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCc1c(C)nc(N2CCN(C)CC2)nc1Cl
InChIInChI=1S/C12H19ClN4/c1-4-10-9(2)14-12(15-11(10)13)17-7-5-16(3)6-8-17/h4-8H2,1-3H3
InChIKeyPHSDWEATKBYYCL-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine (CID 61268302) is 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine is CCc1c(C)nc(N2CCN(C)CC2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is PHSDWEATKBYYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-4-10-9(2)14-12(15-11(10)13)17-7-5-16(3)6-8-17/h4-8H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine?
4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 254.76 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 61268302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).