4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine

C16H19N3 — CID 116898808

IUPAC4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
SMILESCc1ccc(C)c(-c2ccnc(C3CCNC3)n2)c1
InChIInChI=1S/C16H19N3/c1-11-3-4-12(2)14(9-11)15-6-8-18-16(19-15)13-5-7-17-10-13/h3-4,6,8-9,13,17H,5,7,10H2,1-2H3
InChIKeyYDCKHWCFGRAKPR-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.84
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine

4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine (PubChem CID 116898808) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
PubChem CID116898808
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
SMILESCc1ccc(C)c(-c2ccnc(C3CCNC3)n2)c1
InChIInChI=1S/C16H19N3/c1-11-3-4-12(2)14(9-11)15-6-8-18-16(19-15)13-5-7-17-10-13/h3-4,6,8-9,13,17H,5,7,10H2,1-2H3
InChIKeyYDCKHWCFGRAKPR-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
CID 116898690
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898827
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole
CID 116965302
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982
1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278628
2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine
CID 116898704
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine
CID 116898706

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine?
The IUPAC name of 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine (CID 116898808) is 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine is Cc1ccc(C)c(-c2ccnc(C3CCNC3)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine?
The InChIKey is YDCKHWCFGRAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-3-4-12(2)14(9-11)15-6-8-18-16(19-15)13-5-7-17-10-13/h3-4,6,8-9,13,17H,5,7,10H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine?
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine has a molecular weight of 253.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine is sourced from PubChem (CID 116898808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).