N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine

C18H24ClN5O — CID 112870920

IUPACN-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3cc(Cl)ccc3OC)nc(C)n2)CC1
InChIInChI=1S/C18H24ClN5O/c1-4-23-7-9-24(10-8-23)18-12-17(20-13(2)21-18)22-15-11-14(19)5-6-16(15)25-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyVXLSYQGYYOCGGS-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.33
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine

N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 112870920) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
PubChem CID112870920
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3cc(Cl)ccc3OC)nc(C)n2)CC1
InChIInChI=1S/C18H24ClN5O/c1-4-23-7-9-24(10-8-23)18-12-17(20-13(2)21-18)22-15-11-14(19)5-6-16(15)25-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyVXLSYQGYYOCGGS-UHFFFAOYSA-N
XLogP3.33
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80762755
N-(3-chloro-4-fluorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870917
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870959
2-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 112914409
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
6-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112870842
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868148
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351859
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine (CID 112870920) is N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine is CCN1CCN(c2cc(Nc3cc(Cl)ccc3OC)nc(C)n2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is VXLSYQGYYOCGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-4-23-7-9-24(10-8-23)18-12-17(20-13(2)21-18)22-15-11-14(19)5-6-16(15)25-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine?
N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 361.88 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112870920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).