4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid

C20H24N4O3 — CID 68887484

IUPAC4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid
SMILESCC(C)C(CCC(=O)O)N1Cc2cc(Oc3ccccc3)ncc2N=C1N
InChIInChI=1S/C20H24N4O3/c1-13(2)17(8-9-19(25)26)24-12-14-10-18(22-11-16(14)23-20(24)21)27-15-6-4-3-5-7-15/h3-7,10-11,13,17H,8-9,12H2,1-2H3,(H2,21,23)(H,25,26)
InChIKeyLNOQZRJOAIFQKK-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.53
Rot. Bonds7

About 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid

4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid (PubChem CID 68887484) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid.

Molecular Properties

Compound Name4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid
PubChem CID68887484
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid
SMILESCC(C)C(CCC(=O)O)N1Cc2cc(Oc3ccccc3)ncc2N=C1N
InChIInChI=1S/C20H24N4O3/c1-13(2)17(8-9-19(25)26)24-12-14-10-18(22-11-16(14)23-20(24)21)27-15-6-4-3-5-7-15/h3-7,10-11,13,17H,8-9,12H2,1-2H3,(H2,21,23)(H,25,26)
InChIKeyLNOQZRJOAIFQKK-UHFFFAOYSA-N
XLogP3.53
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid?
The IUPAC name of 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid (CID 68887484) is 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid.
What is the SMILES notation for 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid?
The canonical SMILES for 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid is CC(C)C(CCC(=O)O)N1Cc2cc(Oc3ccccc3)ncc2N=C1N.
What is the InChIKey of 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid?
The InChIKey is LNOQZRJOAIFQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)17(8-9-19(25)26)24-12-14-10-18(22-11-16(14)23-20(24)21)27-15-6-4-3-5-7-15/h3-7,10-11,13,17H,8-9,12H2,1-2H3,(H2,21,23)(H,25,26).
What are the key properties of 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid?
4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid has a molecular weight of 368.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-5-methylhexanoic acid is sourced from PubChem (CID 68887484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).