4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine

C15H14N8 — CID 155678845

IUPAC4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCc1cccc2[nH]c(-c3[nH]ncc3Nc3ccnc(N)n3)nc12
InChIInChI=1S/C15H14N8/c1-8-3-2-4-9-12(8)22-14(20-9)13-10(7-18-23-13)19-11-5-6-17-15(16)21-11/h2-7H,1H3,(H,18,23)(H,20,22)(H3,16,17,19,21)
InChIKeyLOVMYWILFQANEO-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.38
Rot. Bonds3

About 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine

4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine (PubChem CID 155678845) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine
PubChem CID155678845
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCc1cccc2[nH]c(-c3[nH]ncc3Nc3ccnc(N)n3)nc12
InChIInChI=1S/C15H14N8/c1-8-3-2-4-9-12(8)22-14(20-9)13-10(7-18-23-13)19-11-5-6-17-15(16)21-11/h2-7H,1H3,(H,18,23)(H,20,22)(H3,16,17,19,21)
InChIKeyLOVMYWILFQANEO-UHFFFAOYSA-N
XLogP2.38
TPSA121.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine (CID 155678845) is 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine is Cc1cccc2[nH]c(-c3[nH]ncc3Nc3ccnc(N)n3)nc12.
What is the InChIKey of 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine?
The InChIKey is LOVMYWILFQANEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8/c1-8-3-2-4-9-12(8)22-14(20-9)13-10(7-18-23-13)19-11-5-6-17-15(16)21-11/h2-7H,1H3,(H,18,23)(H,20,22)(H3,16,17,19,21).
What are the key properties of 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine?
4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine has a molecular weight of 306.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 155678845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).