6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C26H24F3N9O — CID 58275337

IUPAC6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cn1
InChIInChI=1S/C26H24F3N9O/c1-16(2)39-22-10-5-18(12-31-22)20-8-9-21-23(35-20)24(33-13-26(27,28)29)37-25(36-21)32-11-17-3-6-19(7-4-17)38-15-30-14-34-38/h3-10,12,14-16H,11,13H2,1-2H3,(H2,32,33,36,37)
InChIKeyBMVLGTNEOALXMX-UHFFFAOYSA-N
MW535.53 g/mol
LogP5.04
Rot. Bonds9

About 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 58275337) has the molecular formula C26H24F3N9O and a molecular weight of 535.53 g/mol. Its IUPAC name is 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID58275337
Molecular FormulaC26H24F3N9O
Molecular Weight535.53 g/mol
Exact Mass535.21
IUPAC Name6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cn1
InChIInChI=1S/C26H24F3N9O/c1-16(2)39-22-10-5-18(12-31-22)20-8-9-21-23(35-20)24(33-13-26(27,28)29)37-25(36-21)32-11-17-3-6-19(7-4-17)38-15-30-14-34-38/h3-10,12,14-16H,11,13H2,1-2H3,(H2,32,33,36,37)
InChIKeyBMVLGTNEOALXMX-UHFFFAOYSA-N
XLogP5.04
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)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-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 58275337) is 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CC(C)Oc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cn1.
What is the InChIKey of 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is BMVLGTNEOALXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N9O/c1-16(2)39-22-10-5-18(12-31-22)20-8-9-21-23(35-20)24(33-13-26(27,28)29)37-25(36-21)32-11-17-3-6-19(7-4-17)38-15-30-14-34-38/h3-10,12,14-16H,11,13H2,1-2H3,(H2,32,33,36,37).
What are the key properties of 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 535.53 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-propan-2-yloxy-3-pyridinyl)-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58275337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).