6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine

C12H20ClN5 — CID 63897136

IUPAC6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1CN(C)CCN1C
InChIInChI=1S/C12H20ClN5/c1-9-11(13)15-8-16-12(9)14-6-10-7-17(2)4-5-18(10)3/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLQFLOSXXQKSEKW-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.10
Rot. Bonds3

About 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine

6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 63897136) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
PubChem CID63897136
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1CN(C)CCN1C
InChIInChI=1S/C12H20ClN5/c1-9-11(13)15-8-16-12(9)14-6-10-7-17(2)4-5-18(10)3/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLQFLOSXXQKSEKW-UHFFFAOYSA-N
XLogP1.10
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine (CID 63897136) is 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NCC1CN(C)CCN1C.
What is the InChIKey of 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is LQFLOSXXQKSEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-9-11(13)15-8-16-12(9)14-6-10-7-17(2)4-5-18(10)3/h8,10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63897136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).