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

C13H16N4 — CID 116898922

IUPAC2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
SMILESc1c[nH]c(-c2ccnc(CC3CCCN3)n2)c1
InChIInChI=1S/C13H16N4/c1-3-10(14-6-1)9-13-16-8-5-12(17-13)11-4-2-7-15-11/h2,4-5,7-8,10,14-15H,1,3,6,9H2
InChIKeyRTLONSUXMPQVRU-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.77
Rot. Bonds3

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

2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 116898922) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
PubChem CID116898922
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
SMILESc1c[nH]c(-c2ccnc(CC3CCCN3)n2)c1
InChIInChI=1S/C13H16N4/c1-3-10(14-6-1)9-13-16-8-5-12(17-13)11-4-2-7-15-11/h2,4-5,7-8,10,14-15H,1,3,6,9H2
InChIKeyRTLONSUXMPQVRU-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893520
N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116975951
4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 116898933
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898827
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
CID 53421238
4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82665682
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
CID 67247276
2-(piperidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84735082
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine (CID 116898922) is 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine is c1c[nH]c(-c2ccnc(CC3CCCN3)n2)c1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is RTLONSUXMPQVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-10(14-6-1)9-13-16-8-5-12(17-13)11-4-2-7-15-11/h2,4-5,7-8,10,14-15H,1,3,6,9H2.
What are the key properties of 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine?
2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 228.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 116898922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).