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

C20H20N4O — CID 112883965

IUPACN-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESc1ccc(Oc2ccccc2Nc2nccc(N3CCCC3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-2-8-16(9-3-1)25-18-11-5-4-10-17(18)22-20-21-13-12-19(23-20)24-14-6-7-15-24/h1-5,8-13H,6-7,14-15H2,(H,21,22,23)
InChIKeyHCJDJKOXFKFXSD-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.61
Rot. Bonds5

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

N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112883965) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112883965
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESc1ccc(Oc2ccccc2Nc2nccc(N3CCCC3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-2-8-16(9-3-1)25-18-11-5-4-10-17(18)22-20-21-13-12-19(23-20)24-14-6-7-15-24/h1-5,8-13H,6-7,14-15H2,(H,21,22,23)
InChIKeyHCJDJKOXFKFXSD-UHFFFAOYSA-N
XLogP4.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884584
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888309
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884524
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112890932
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 112883965) is N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine is c1ccc(Oc2ccccc2Nc2nccc(N3CCCC3)n2)cc1.
What is the InChIKey of N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is HCJDJKOXFKFXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-8-16(9-3-1)25-18-11-5-4-10-17(18)22-20-21-13-12-19(23-20)24-14-6-7-15-24/h1-5,8-13H,6-7,14-15H2,(H,21,22,23).
What are the key properties of N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112883965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).