2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine

C12H20ClN5 — CID 106192920

IUPAC2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(NCCN2CCN(C)CC2)nc(Cl)n1
InChIInChI=1S/C12H20ClN5/c1-10-9-11(16-12(13)15-10)14-3-4-18-7-5-17(2)6-8-18/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyCYBWUJAXYHAYDH-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.10
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine

2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 106192920) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
PubChem CID106192920
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(NCCN2CCN(C)CC2)nc(Cl)n1
InChIInChI=1S/C12H20ClN5/c1-10-9-11(16-12(13)15-10)14-3-4-18-7-5-17(2)6-8-18/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyCYBWUJAXYHAYDH-UHFFFAOYSA-N
XLogP1.10
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

2-chloro-6-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidin-4-amine
CID 53491181
2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 113234720
6-bromo-2-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 114156436
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
6-methyl-4-N-(2-piperazin-1-ylethyl)pyrimidine-2,4-diamine
CID 10354114
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
CID 142930051
2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine
CID 82460824
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107551946
6-methyl-N-(2-piperazin-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43600421
2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
CID 62480987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine (CID 106192920) is 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine is Cc1cc(NCCN2CCN(C)CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is CYBWUJAXYHAYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-10-9-11(16-12(13)15-10)14-3-4-18-7-5-17(2)6-8-18/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106192920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).