4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine

C17H23N5O — CID 142666875

IUPAC4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cccc(OC)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C17H23N5O/c1-18-17-20-15(19-13-7-6-8-14(11-13)23-2)12-16(21-17)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyDHQXLXBLTGWZRD-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.26
Rot. Bonds5

About 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine

4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 142666875) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID142666875
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cccc(OC)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C17H23N5O/c1-18-17-20-15(19-13-7-6-8-14(11-13)23-2)12-16(21-17)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyDHQXLXBLTGWZRD-UHFFFAOYSA-N
XLogP3.26
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 57399459
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748172
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
(3S)-1-[6-(3-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975943
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 57397799
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 145179661
6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 112881049
6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717128
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112868540

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 142666875) is 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine is CNc1nc(Nc2cccc(OC)c2)cc(N2CCCCC2)n1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is DHQXLXBLTGWZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-18-17-20-15(19-13-7-6-8-14(11-13)23-2)12-16(21-17)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 142666875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).