4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine

C19H20N8 — CID 122178560

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCn1cnc2ccc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc21
InChIInChI=1S/C19H20N8/c1-27-11-22-14-5-2-12(8-16(14)27)10-21-19-20-7-6-17(24-19)23-18-9-15(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26)
InChIKeyOBIDPPHQNBXXLK-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.32
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 122178560) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID122178560
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCn1cnc2ccc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc21
InChIInChI=1S/C19H20N8/c1-27-11-22-14-5-2-12(8-16(14)27)10-21-19-20-7-6-17(24-19)23-18-9-15(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26)
InChIKeyOBIDPPHQNBXXLK-UHFFFAOYSA-N
XLogP3.32
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 122178560) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine is Cn1cnc2ccc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc21.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is OBIDPPHQNBXXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-27-11-22-14-5-2-12(8-16(14)27)10-21-19-20-7-6-17(24-19)23-18-9-15(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 360.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methylbenzimidazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 122178560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).