4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine

C20H21N5 — CID 112934103

IUPAC4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESc1ccc(-c2cc(N3CCCC3)nc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C20H21N5/c1-2-6-17(7-3-1)18-14-19(25-12-4-5-13-25)24-20(23-18)22-15-16-8-10-21-11-9-16/h1-3,6-11,14H,4-5,12-13,15H2,(H,22,23,24)
InChIKeyAVZCJMKZQGWKLF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.75
Rot. Bonds5

About 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine

4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112934103) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112934103
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESc1ccc(-c2cc(N3CCCC3)nc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C20H21N5/c1-2-6-17(7-3-1)18-14-19(25-12-4-5-13-25)24-20(23-18)22-15-16-8-10-21-11-9-16/h1-3,6-11,14H,4-5,12-13,15H2,(H,22,23,24)
InChIKeyAVZCJMKZQGWKLF-UHFFFAOYSA-N
XLogP3.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112934723
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934156
N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934190
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112934103) is 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine is c1ccc(-c2cc(N3CCCC3)nc(NCc3ccncc3)n2)cc1.
What is the InChIKey of 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is AVZCJMKZQGWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-2-6-17(7-3-1)18-14-19(25-12-4-5-13-25)24-20(23-18)22-15-16-8-10-21-11-9-16/h1-3,6-11,14H,4-5,12-13,15H2,(H,22,23,24).
What are the key properties of 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 331.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).