2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine

C14H19N5 — CID 110272157

IUPAC2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine
SMILESCc1ccnc(C2(C)CCCN2Cc2cnc[nH]2)n1
InChIInChI=1S/C14H19N5/c1-11-4-6-16-13(18-11)14(2)5-3-7-19(14)9-12-8-15-10-17-12/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,17)
InChIKeyBOYLFNBOYSYXNV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.02
Rot. Bonds3

About 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine

2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine (PubChem CID 110272157) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine
PubChem CID110272157
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine
SMILESCc1ccnc(C2(C)CCCN2Cc2cnc[nH]2)n1
InChIInChI=1S/C14H19N5/c1-11-4-6-16-13(18-11)14(2)5-3-7-19(14)9-12-8-15-10-17-12/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,17)
InChIKeyBOYLFNBOYSYXNV-UHFFFAOYSA-N
XLogP2.02
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine?
The IUPAC name of 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine (CID 110272157) is 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine is Cc1ccnc(C2(C)CCCN2Cc2cnc[nH]2)n1.
What is the InChIKey of 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine?
The InChIKey is BOYLFNBOYSYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-4-6-16-13(18-11)14(2)5-3-7-19(14)9-12-8-15-10-17-12/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,17).
What are the key properties of 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine?
2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine has a molecular weight of 257.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-5-ylmethyl)-2-methylpyrrolidin-2-yl]-4-methylpyrimidine is sourced from PubChem (CID 110272157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).