7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid

C14H23N3O3 — CID 66333424

IUPAC7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
SMILESCC(C)Oc1cc(NCCCCCCC(=O)O)ncn1
InChIInChI=1S/C14H23N3O3/c1-11(2)20-13-9-12(16-10-17-13)15-8-6-4-3-5-7-14(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyVFGZNDLTLNHXNA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.71
Rot. Bonds10

About 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid

7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid (PubChem CID 66333424) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
PubChem CID66333424
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
SMILESCC(C)Oc1cc(NCCCCCCC(=O)O)ncn1
InChIInChI=1S/C14H23N3O3/c1-11(2)20-13-9-12(16-10-17-13)15-8-6-4-3-5-7-14(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyVFGZNDLTLNHXNA-UHFFFAOYSA-N
XLogP2.71
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(6-ethoxypyrimidin-4-yl)amino]heptanoic acid
CID 66318771
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
N-cyclopropyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetamide
CID 66328180
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408

Frequently Asked Questions

What is the IUPAC name of 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid?
The IUPAC name of 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid (CID 66333424) is 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid.
What is the SMILES notation for 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid?
The canonical SMILES for 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid is CC(C)Oc1cc(NCCCCCCC(=O)O)ncn1.
What is the InChIKey of 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid?
The InChIKey is VFGZNDLTLNHXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(2)20-13-9-12(16-10-17-13)15-8-6-4-3-5-7-14(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid?
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid is sourced from PubChem (CID 66333424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).