[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol

C18H22N6O — CID 117088494

IUPAC[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc(N2CCCC2CO)nc1NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H22N6O/c1-12-9-20-18(24-8-4-5-13(24)11-25)23-17(12)19-10-16-21-14-6-2-3-7-15(14)22-16/h2-3,6-7,9,13,25H,4-5,8,10-11H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyUPHRXJQHIAGENY-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.23
Rot. Bonds5

About [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol

[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 117088494) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID117088494
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc(N2CCCC2CO)nc1NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H22N6O/c1-12-9-20-18(24-8-4-5-13(24)11-25)23-17(12)19-10-16-21-14-6-2-3-7-15(14)22-16/h2-3,6-7,9,13,25H,4-5,8,10-11H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyUPHRXJQHIAGENY-UHFFFAOYSA-N
XLogP2.23
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(1H-benzimidazol-2-ylmethylamino)-7-bromoimidazo[2,1-f][1,2,4]triazin-2-yl]piperidin-2-yl]methanol
CID 166728540
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine
CID 117089528
4-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-5-methylpyrimidine-2,4-diamine
CID 117090195
4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine
CID 117094429
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23541154
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 83184365
[1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 10806944
[(2R)-1-[3-(cyclopropylamino)quinoxalin-2-yl]pyrrolidin-2-yl]methanol
CID 97169661
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 167768772
[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
CID 46215470

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 117088494) is [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol is Cc1cnc(N2CCCC2CO)nc1NCc1nc2ccccc2[nH]1.
What is the InChIKey of [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is UPHRXJQHIAGENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-9-20-18(24-8-4-5-13(24)11-25)23-17(12)19-10-16-21-14-6-2-3-7-15(14)22-16/h2-3,6-7,9,13,25H,4-5,8,10-11H2,1H3,(H,21,22)(H,19,20,23).
What are the key properties of [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 338.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117088494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).