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

C11H18ClN5 — CID 105369215

IUPAC5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
SMILESCN1CCN(CCNc2ncncc2Cl)CC1
InChIInChI=1S/C11H18ClN5/c1-16-4-6-17(7-5-16)3-2-14-11-10(12)8-13-9-15-11/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyNRWQJCYTYWLPIN-UHFFFAOYSA-N
MW255.75 g/mol
LogP0.79
Rot. Bonds4

About 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine

5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 105369215) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
PubChem CID105369215
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
SMILESCN1CCN(CCNc2ncncc2Cl)CC1
InChIInChI=1S/C11H18ClN5/c1-16-4-6-17(7-5-16)3-2-14-11-10(12)8-13-9-15-11/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyNRWQJCYTYWLPIN-UHFFFAOYSA-N
XLogP0.79
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 102975963
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine
CID 171675277
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
CID 130890848
5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66339705
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
3,5-dichloro-4-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 107573794

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine (CID 105369215) is 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine is CN1CCN(CCNc2ncncc2Cl)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is NRWQJCYTYWLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-16-4-6-17(7-5-16)3-2-14-11-10(12)8-13-9-15-11/h8-9H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine?
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 105369215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).