1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

C19H24N6O — CID 50951418

IUPAC1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1cccc2[nH]c(CCN(C)c3nccc(N4CCC(O)C4)n3)nc12
InChIInChI=1S/C19H24N6O/c1-13-4-3-5-15-18(13)22-16(21-15)8-10-24(2)19-20-9-6-17(23-19)25-11-7-14(26)12-25/h3-6,9,14,26H,7-8,10-12H2,1-2H3,(H,21,22)
InChIKeyLCAVQFSDZDSHGH-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50951418) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50951418
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1cccc2[nH]c(CCN(C)c3nccc(N4CCC(O)C4)n3)nc12
InChIInChI=1S/C19H24N6O/c1-13-4-3-5-15-18(13)22-16(21-15)8-10-24(2)19-20-9-6-17(23-19)25-11-7-14(26)12-25/h3-6,9,14,26H,7-8,10-12H2,1-2H3,(H,21,22)
InChIKeyLCAVQFSDZDSHGH-UHFFFAOYSA-N
XLogP1.91
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 50951418) is 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is Cc1cccc2[nH]c(CCN(C)c3nccc(N4CCC(O)C4)n3)nc12.
What is the InChIKey of 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is LCAVQFSDZDSHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-4-3-5-15-18(13)22-16(21-15)8-10-24(2)19-20-9-6-17(23-19)25-11-7-14(26)12-25/h3-6,9,14,26H,7-8,10-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 352.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50951418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).