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

C10H14Cl2N4 — CID 71639556

IUPAC2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine
SMILESCC1CNCCN1Cc1cnc(Cl)nc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-7-4-13-2-3-16(7)6-8-5-14-10(12)15-9(8)11/h5,7,13H,2-4,6H2,1H3
InChIKeyFEESGHJZNLHNNC-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.58
Rot. Bonds2

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

2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 71639556) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine
PubChem CID71639556
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine
SMILESCC1CNCCN1Cc1cnc(Cl)nc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-7-4-13-2-3-16(7)6-8-5-14-10(12)15-9(8)11/h5,7,13H,2-4,6H2,1H3
InChIKeyFEESGHJZNLHNNC-UHFFFAOYSA-N
XLogP1.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine (CID 71639556) is 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine is CC1CNCCN1Cc1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is FEESGHJZNLHNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4/c1-7-4-13-2-3-16(7)6-8-5-14-10(12)15-9(8)11/h5,7,13H,2-4,6H2,1H3.
What are the key properties of 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine?
2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 261.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 71639556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).