2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine

C12H14N4 — CID 116898827

IUPAC2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
SMILESc1c[nH]c(-c2ccnc(C3CCNC3)n2)c1
InChIInChI=1S/C12H14N4/c1-2-10(14-5-1)11-4-7-15-12(16-11)9-3-6-13-8-9/h1-2,4-5,7,9,13-14H,3,6,8H2
InChIKeyRZKYBTDTUMROJA-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.55
Rot. Bonds2

About 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine

2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 116898827) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
PubChem CID116898827
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
SMILESc1c[nH]c(-c2ccnc(C3CCNC3)n2)c1
InChIInChI=1S/C12H14N4/c1-2-10(14-5-1)11-4-7-15-12(16-11)9-3-6-13-8-9/h1-2,4-5,7,9,13-14H,3,6,8H2
InChIKeyRZKYBTDTUMROJA-UHFFFAOYSA-N
XLogP1.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893449
6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole
CID 116898831
2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
CID 83818283
4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136988563
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898922
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
CID 116898890
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727845

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine (CID 116898827) is 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine is c1c[nH]c(-c2ccnc(C3CCNC3)n2)c1.
What is the InChIKey of 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is RZKYBTDTUMROJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-10(14-5-1)11-4-7-15-12(16-11)9-3-6-13-8-9/h1-2,4-5,7,9,13-14H,3,6,8H2.
What are the key properties of 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine?
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 214.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 116898827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).