N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine

C18H24BrN5 — CID 112914441

IUPACN-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(Nc3ccc(Br)c(C)c3)n2)CC1
InChIInChI=1S/C18H24BrN5/c1-4-23-7-9-24(10-8-23)18-20-14(3)12-17(22-18)21-15-5-6-16(19)13(2)11-15/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyXVRQAHJXPPTWLN-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.74
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine

N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112914441) has the molecular formula C18H24BrN5 and a molecular weight of 390.33 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112914441
Molecular FormulaC18H24BrN5
Molecular Weight390.33 g/mol
Exact Mass389.12
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(Nc3ccc(Br)c(C)c3)n2)CC1
InChIInChI=1S/C18H24BrN5/c1-4-23-7-9-24(10-8-23)18-20-14(3)12-17(22-18)21-15-5-6-16(19)13(2)11-15/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyXVRQAHJXPPTWLN-UHFFFAOYSA-N
XLogP3.74
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456
N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914058
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924034
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549633
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914415
2-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 112914409
4-N-(4-bromo-3-methylphenyl)-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909200
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine (CID 112914441) is N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine is CCN1CCN(c2nc(C)cc(Nc3ccc(Br)c(C)c3)n2)CC1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is XVRQAHJXPPTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5/c1-4-23-7-9-24(10-8-23)18-20-14(3)12-17(22-18)21-15-5-6-16(19)13(2)11-15/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 390.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112914441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).