N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine

C17H21Cl2N5 — CID 112914456

IUPACN-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(Nc3cc(Cl)cc(Cl)c3)n2)CC1
InChIInChI=1S/C17H21Cl2N5/c1-3-23-4-6-24(7-5-23)17-20-12(2)8-16(22-17)21-15-10-13(18)9-14(19)11-15/h8-11H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyOGKXDYOGODHRLC-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.98
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine

N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112914456) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112914456
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC NameN-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(Nc3cc(Cl)cc(Cl)c3)n2)CC1
InChIInChI=1S/C17H21Cl2N5/c1-3-23-4-6-24(7-5-23)17-20-12(2)8-16(22-17)21-15-10-13(18)9-14(19)11-15/h8-11H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyOGKXDYOGODHRLC-UHFFFAOYSA-N
XLogP3.98
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914441
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112914411
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549633
2-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 112914409
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914415
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine (CID 112914456) is N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine is CCN1CCN(c2nc(C)cc(Nc3cc(Cl)cc(Cl)c3)n2)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is OGKXDYOGODHRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5/c1-3-23-4-6-24(7-5-23)17-20-12(2)8-16(22-17)21-15-10-13(18)9-14(19)11-15/h8-11H,3-7H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 366.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112914456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).