4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid

C24H27ClN4O4 — CID 87768631

IUPAC4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O.Cc1cc(Cl)nc(N)n1
InChIInChI=1S/C19H21NO4.C5H6ClN3/c1-2-7-17(19(22)23)20-18(21)13-14-8-6-11-16(12-14)24-15-9-4-3-5-10-15;1-3-2-4(6)9-5(7)8-3/h3-6,8-12,17H,2,7,13H2,1H3,(H,20,21)(H,22,23);2H,1H3,(H2,7,8,9)
InChIKeyGCMVTXGVHDRRGB-UHFFFAOYSA-N
MW470.96 g/mol
LogP4.41
Rot. Bonds8

About 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid

4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 87768631) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid
PubChem CID87768631
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O.Cc1cc(Cl)nc(N)n1
InChIInChI=1S/C19H21NO4.C5H6ClN3/c1-2-7-17(19(22)23)20-18(21)13-14-8-6-11-16(12-14)24-15-9-4-3-5-10-15;1-3-2-4(6)9-5(7)8-3/h3-6,8-12,17H,2,7,13H2,1H3,(H,20,21)(H,22,23);2H,1H3,(H2,7,8,9)
InChIKeyGCMVTXGVHDRRGB-UHFFFAOYSA-N
XLogP4.41
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid (CID 87768631) is 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid is CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O.Cc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is GCMVTXGVHDRRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4.C5H6ClN3/c1-2-7-17(19(22)23)20-18(21)13-14-8-6-11-16(12-14)24-15-9-4-3-5-10-15;1-3-2-4(6)9-5(7)8-3/h3-6,8-12,17H,2,7,13H2,1H3,(H,20,21)(H,22,23);2H,1H3,(H2,7,8,9).
What are the key properties of 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid?
4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 470.96 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylpyrimidin-2-amine;2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 87768631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).