2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine

C26H34N6O2 — CID 172681486

IUPAC2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCCOc1cc(-c2oc(C)nc2C)ccc1C1(N)N=Cc2cc(C)nc(NCC(C)(C)C)c2N1
InChIInChI=1S/C26H34N6O2/c1-8-33-21-12-18(23-16(3)31-17(4)34-23)9-10-20(21)26(27)29-13-19-11-15(2)30-24(22(19)32-26)28-14-25(5,6)7/h9-13,32H,8,14,27H2,1-7H3,(H,28,30)
InChIKeyALPOFHUIJUXEHZ-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.13
Rot. Bonds6

About 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine

2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 172681486) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID172681486
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCCOc1cc(-c2oc(C)nc2C)ccc1C1(N)N=Cc2cc(C)nc(NCC(C)(C)C)c2N1
InChIInChI=1S/C26H34N6O2/c1-8-33-21-12-18(23-16(3)31-17(4)34-23)9-10-20(21)26(27)29-13-19-11-15(2)30-24(22(19)32-26)28-14-25(5,6)7/h9-13,32H,8,14,27H2,1-7H3,(H,28,30)
InChIKeyALPOFHUIJUXEHZ-UHFFFAOYSA-N
XLogP5.13
TPSA110.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine (CID 172681486) is 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine is CCOc1cc(-c2oc(C)nc2C)ccc1C1(N)N=Cc2cc(C)nc(NCC(C)(C)C)c2N1.
What is the InChIKey of 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is ALPOFHUIJUXEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-8-33-21-12-18(23-16(3)31-17(4)34-23)9-10-20(21)26(27)29-13-19-11-15(2)30-24(22(19)32-26)28-14-25(5,6)7/h9-13,32H,8,14,27H2,1-7H3,(H,28,30).
What are the key properties of 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 462.60 g/mol, XLogP of 5.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 172681486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).