6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

C21H22N4O — CID 112909578

IUPAC6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2Oc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C21H22N4O/c1-16-15-20(24-21(22-16)25-13-7-8-14-25)23-18-11-5-6-12-19(18)26-17-9-3-2-4-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,23,24)
InChIKeyJZMJFBPNUPJXTG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.92
Rot. Bonds5

About 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112909578) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112909578
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2Oc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C21H22N4O/c1-16-15-20(24-21(22-16)25-13-7-8-14-25)23-18-11-5-6-12-19(18)26-17-9-3-2-4-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,23,24)
InChIKeyJZMJFBPNUPJXTG-UHFFFAOYSA-N
XLogP4.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910270
N-(2-ethoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910272
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
2-(azepan-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112926722
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112869302
4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112909762
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112932156
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
2-(azepan-1-yl)-N-(2,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 112926760
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyrimidin-4-amine
CID 112926765

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112909578) is 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1cc(Nc2ccccc2Oc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JZMJFBPNUPJXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-15-20(24-21(22-16)25-13-7-8-14-25)23-18-11-5-6-12-19(18)26-17-9-3-2-4-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,23,24).
What are the key properties of 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112909578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).