N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

C22H24ClN5 — CID 112936313

IUPACN-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1Cl
InChIInChI=1S/C22H24ClN5/c1-16-8-9-18(14-19(16)23)24-22-25-20(17-6-4-3-5-7-17)15-21(26-22)28-12-10-27(2)11-13-28/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,26)
InChIKeyRFWDOQYIICBUTF-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.60
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112936313) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112936313
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1Cl
InChIInChI=1S/C22H24ClN5/c1-16-8-9-18(14-19(16)23)24-22-25-20(17-6-4-3-5-7-17)15-21(26-22)28-12-10-27(2)11-13-28/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,26)
InChIKeyRFWDOQYIICBUTF-UHFFFAOYSA-N
XLogP4.60
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936319
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
2-N-(3-chloro-4-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112936136
N-(2-chlorophenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913869
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913929
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (CID 112936313) is N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is Cc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is RFWDOQYIICBUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-16-8-9-18(14-19(16)23)24-22-25-20(17-6-4-3-5-7-17)15-21(26-22)28-12-10-27(2)11-13-28/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 393.92 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112936313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).