6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine

C19H20FN5 — CID 90017363

IUPAC6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cc(F)cc(CNC4CCCC4)c3)nc12
InChIInChI=1S/C19H20FN5/c20-14-8-12(10-22-15-3-1-2-4-15)7-13(9-14)16-5-6-17-18(25-16)19(21)24-11-23-17/h5-9,11,15,22H,1-4,10H2,(H2,21,23,24)
InChIKeyCTKVZUBHZRYVDS-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.45
Rot. Bonds4

About 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90017363) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90017363
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cc(F)cc(CNC4CCCC4)c3)nc12
InChIInChI=1S/C19H20FN5/c20-14-8-12(10-22-15-3-1-2-4-15)7-13(9-14)16-5-6-17-18(25-16)19(21)24-11-23-17/h5-9,11,15,22H,1-4,10H2,(H2,21,23,24)
InChIKeyCTKVZUBHZRYVDS-UHFFFAOYSA-N
XLogP3.45
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 90017363) is 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(-c3cc(F)cc(CNC4CCCC4)c3)nc12.
What is the InChIKey of 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is CTKVZUBHZRYVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c20-14-8-12(10-22-15-3-1-2-4-15)7-13(9-14)16-5-6-17-18(25-16)19(21)24-11-23-17/h5-9,11,15,22H,1-4,10H2,(H2,21,23,24).
What are the key properties of 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 337.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90017363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).