6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine

C28H25F3N10 — CID 58275490

IUPAC6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)C1(Nc2nc(NCc3cccc(-n4cncn4)c3)nc3ccc(-c4ccc(NC5CC5)nc4)nc23)CC1
InChIInChI=1S/C28H25F3N10/c29-28(30,31)27(10-11-27)40-25-24-22(8-7-21(37-24)18-4-9-23(33-14-18)36-19-5-6-19)38-26(39-25)34-13-17-2-1-3-20(12-17)41-16-32-15-35-41/h1-4,7-9,12,14-16,19H,5-6,10-11,13H2,(H,33,36)(H2,34,38,39,40)
InChIKeySPXWNKYSTSFCTG-UHFFFAOYSA-N
MW558.57 g/mol
LogP5.36
Rot. Bonds9

About 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine

6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 58275490) has the molecular formula C28H25F3N10 and a molecular weight of 558.57 g/mol. Its IUPAC name is 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID58275490
Molecular FormulaC28H25F3N10
Molecular Weight558.57 g/mol
Exact Mass558.22
IUPAC Name6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)C1(Nc2nc(NCc3cccc(-n4cncn4)c3)nc3ccc(-c4ccc(NC5CC5)nc4)nc23)CC1
InChIInChI=1S/C28H25F3N10/c29-28(30,31)27(10-11-27)40-25-24-22(8-7-21(37-24)18-4-9-23(33-14-18)36-19-5-6-19)38-26(39-25)34-13-17-2-1-3-20(12-17)41-16-32-15-35-41/h1-4,7-9,12,14-16,19H,5-6,10-11,13H2,(H,33,36)(H2,34,38,39,40)
InChIKeySPXWNKYSTSFCTG-UHFFFAOYSA-N
XLogP5.36
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.57
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 58275490) is 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine is FC(F)(F)C1(Nc2nc(NCc3cccc(-n4cncn4)c3)nc3ccc(-c4ccc(NC5CC5)nc4)nc23)CC1.
What is the InChIKey of 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is SPXWNKYSTSFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N10/c29-28(30,31)27(10-11-27)40-25-24-22(8-7-21(37-24)18-4-9-23(33-14-18)36-19-5-6-19)38-26(39-25)34-13-17-2-1-3-20(12-17)41-16-32-15-35-41/h1-4,7-9,12,14-16,19H,5-6,10-11,13H2,(H,33,36)(H2,34,38,39,40).
What are the key properties of 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 558.57 g/mol, XLogP of 5.36, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(cyclopropylamino)-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58275490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).