4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine

C16H18N6 — CID 117083511

IUPAC4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2nc3ccccc3n2C)nc1NC1CC1
InChIInChI=1S/C16H18N6/c1-10-9-17-15(20-14(10)18-11-7-8-11)21-16-19-12-5-3-4-6-13(12)22(16)2/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyPLCYIUAXGLCYHC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.99
Rot. Bonds4

About 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine

4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine (PubChem CID 117083511) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine
PubChem CID117083511
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2nc3ccccc3n2C)nc1NC1CC1
InChIInChI=1S/C16H18N6/c1-10-9-17-15(20-14(10)18-11-7-8-11)21-16-19-12-5-3-4-6-13(12)22(16)2/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyPLCYIUAXGLCYHC-UHFFFAOYSA-N
XLogP2.99
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine (CID 117083511) is 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine is Cc1cnc(Nc2nc3ccccc3n2C)nc1NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine?
The InChIKey is PLCYIUAXGLCYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-10-9-17-15(20-14(10)18-11-7-8-11)21-16-19-12-5-3-4-6-13(12)22(16)2/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117083511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).