2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine

C29H35FN8O2 — CID 162429010

IUPAC2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine
SMILESCCC1CCC1C(C)(C)O.Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3c2NC(C)N=C3)c1F
InChIInChI=1S/C20H17FN8O.C9H18O/c1-11-16(30-13-5-6-29-17(7-13)24-10-26-29)4-3-14(18(11)21)28-20-19-15(23-9-25-20)8-22-12(2)27-19;1-4-7-5-6-8(7)9(2,3)10/h3-10,12,27H,1-2H3,(H,23,25,28);7-8,10H,4-6H2,1-3H3
InChIKeyHNYNDMPAGBBXGT-UHFFFAOYSA-N
MW546.65 g/mol
LogP5.89
Rot. Bonds6

About 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine

2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 162429010) has the molecular formula C29H35FN8O2 and a molecular weight of 546.65 g/mol. Its IUPAC name is 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine
PubChem CID162429010
Molecular FormulaC29H35FN8O2
Molecular Weight546.65 g/mol
Exact Mass546.29
IUPAC Name2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine
SMILESCCC1CCC1C(C)(C)O.Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3c2NC(C)N=C3)c1F
InChIInChI=1S/C20H17FN8O.C9H18O/c1-11-16(30-13-5-6-29-17(7-13)24-10-26-29)4-3-14(18(11)21)28-20-19-15(23-9-25-20)8-22-12(2)27-19;1-4-7-5-6-8(7)9(2,3)10/h3-10,12,27H,1-2H3,(H,23,25,28);7-8,10H,4-6H2,1-3H3
InChIKeyHNYNDMPAGBBXGT-UHFFFAOYSA-N
XLogP5.89
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine (CID 162429010) is 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine is CCC1CCC1C(C)(C)O.Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3c2NC(C)N=C3)c1F.
What is the InChIKey of 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is HNYNDMPAGBBXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8O.C9H18O/c1-11-16(30-13-5-6-29-17(7-13)24-10-26-29)4-3-14(18(11)21)28-20-19-15(23-9-25-20)8-22-12(2)27-19;1-4-7-5-6-8(7)9(2,3)10/h3-10,12,27H,1-2H3,(H,23,25,28);7-8,10H,4-6H2,1-3H3.
What are the key properties of 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine?
2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 546.65 g/mol, XLogP of 5.89, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclobutyl)propan-2-ol;N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-methyl-5,6-dihydropyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162429010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).