4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine

C12H15N5 — CID 175662072

IUPAC4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
SMILESc1nc(CC2CCNC2)cc(-c2ncc[nH]2)n1
InChIInChI=1S/C12H15N5/c1-2-13-7-9(1)5-10-6-11(17-8-16-10)12-14-3-4-15-12/h3-4,6,8-9,13H,1-2,5,7H2,(H,14,15)
InChIKeyMPZUECAKHOHCCW-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.02
Rot. Bonds3

About 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine

4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine (PubChem CID 175662072) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
PubChem CID175662072
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
SMILESc1nc(CC2CCNC2)cc(-c2ncc[nH]2)n1
InChIInChI=1S/C12H15N5/c1-2-13-7-9(1)5-10-6-11(17-8-16-10)12-14-3-4-15-12/h3-4,6,8-9,13H,1-2,5,7H2,(H,14,15)
InChIKeyMPZUECAKHOHCCW-UHFFFAOYSA-N
XLogP1.02
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine?
The IUPAC name of 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine (CID 175662072) is 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine is c1nc(CC2CCNC2)cc(-c2ncc[nH]2)n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine?
The InChIKey is MPZUECAKHOHCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-13-7-9(1)5-10-6-11(17-8-16-10)12-14-3-4-15-12/h3-4,6,8-9,13H,1-2,5,7H2,(H,14,15).
What are the key properties of 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine?
4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 175662072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).