N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C22H25N5O — CID 112874751

IUPACN-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1cccc(Nc2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)c1
InChIInChI=1S/C22H25N5O/c1-17-23-21(25-18-7-6-10-20(15-18)28-2)16-22(24-17)27-13-11-26(12-14-27)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyPJWVMSGIAMQPEI-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.86
Rot. Bonds5

About N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112874751) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112874751
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1cccc(Nc2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)c1
InChIInChI=1S/C22H25N5O/c1-17-23-21(25-18-7-6-10-20(15-18)28-2)16-22(24-17)27-13-11-26(12-14-27)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyPJWVMSGIAMQPEI-UHFFFAOYSA-N
XLogP3.86
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
(3S)-1-[6-(3-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975943
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 133282077
6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 112881049
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
N-(4-methoxyphenyl)-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 57399456
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748172
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 142666875
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112863144
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112874751) is N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is COc1cccc(Nc2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is PJWVMSGIAMQPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-23-21(25-18-7-6-10-20(15-18)28-2)16-22(24-17)27-13-11-26(12-14-27)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25).
What are the key properties of N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112874751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).