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

C21H23N5 — CID 167788319

IUPACN-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESc1ccc(C(Cc2ccccn2)Nc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C21H23N5/c1-2-8-17(9-3-1)19(14-18-10-4-5-11-22-18)25-20-15-21(24-16-23-20)26-12-6-7-13-26/h1-5,8-11,15-16,19H,6-7,12-14H2,(H,23,24,25)
InChIKeyWWSXSZNSLGEJAX-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.87
Rot. Bonds6

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

N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 167788319) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID167788319
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESc1ccc(C(Cc2ccccn2)Nc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C21H23N5/c1-2-8-17(9-3-1)19(14-18-10-4-5-11-22-18)25-20-15-21(24-16-23-20)26-12-6-7-13-26/h1-5,8-11,15-16,19H,6-7,12-14H2,(H,23,24,25)
InChIKeyWWSXSZNSLGEJAX-UHFFFAOYSA-N
XLogP3.87
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589
N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
CID 102584855
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133290454
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112860583
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 167788319) is N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is c1ccc(C(Cc2ccccn2)Nc2cc(N3CCCC3)ncn2)cc1.
What is the InChIKey of N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is WWSXSZNSLGEJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-2-8-17(9-3-1)19(14-18-10-4-5-11-22-18)25-20-15-21(24-16-23-20)26-12-6-7-13-26/h1-5,8-11,15-16,19H,6-7,12-14H2,(H,23,24,25).
What are the key properties of N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 167788319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).