N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

C23H27N5O — CID 112936319

IUPACN-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C23H27N5O/c1-3-29-20-11-9-19(10-12-20)24-23-25-21(18-7-5-4-6-8-18)17-22(26-23)28-15-13-27(2)14-16-28/h4-12,17H,3,13-16H2,1-2H3,(H,24,25,26)
InChIKeyMZSQURODLHSHNI-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.04
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112936319) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112936319
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C23H27N5O/c1-3-29-20-11-9-19(10-12-20)24-23-25-21(18-7-5-4-6-8-18)17-22(26-23)28-15-13-27(2)14-16-28/h4-12,17H,3,13-16H2,1-2H3,(H,24,25,26)
InChIKeyMZSQURODLHSHNI-UHFFFAOYSA-N
XLogP4.04
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936313
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
2-N-(4-ethoxyphenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934938
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261
ethyl 4-[2-(4-ethoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923322
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935216
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (CID 112936319) is N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is CCOc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is MZSQURODLHSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-29-20-11-9-19(10-12-20)24-23-25-21(18-7-5-4-6-8-18)17-22(26-23)28-15-13-27(2)14-16-28/h4-12,17H,3,13-16H2,1-2H3,(H,24,25,26).
What are the key properties of N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 389.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112936319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).