2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine

C19H20FN5 — CID 175705974

IUPAC2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESNc1ncc(-c2ccc(F)cc2)c2nc(NC3CCCCC3)ncc12
InChIInChI=1S/C19H20FN5/c20-13-8-6-12(7-9-13)15-10-22-18(21)16-11-23-19(25-17(15)16)24-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H2,21,22)(H,23,24,25)
InChIKeySGMZKUIQDVXZBE-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.16
Rot. Bonds3

About 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine

2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 175705974) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID175705974
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESNc1ncc(-c2ccc(F)cc2)c2nc(NC3CCCCC3)ncc12
InChIInChI=1S/C19H20FN5/c20-13-8-6-12(7-9-13)15-10-22-18(21)16-11-23-19(25-17(15)16)24-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H2,21,22)(H,23,24,25)
InChIKeySGMZKUIQDVXZBE-UHFFFAOYSA-N
XLogP4.16
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (CID 175705974) is 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is Nc1ncc(-c2ccc(F)cc2)c2nc(NC3CCCCC3)ncc12.
What is the InChIKey of 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is SGMZKUIQDVXZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c20-13-8-6-12(7-9-13)15-10-22-18(21)16-11-23-19(25-17(15)16)24-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H2,21,22)(H,23,24,25).
What are the key properties of 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 337.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 175705974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).