2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid

C15H21N3O2 — CID 167820356

IUPAC2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid
SMILESCc1cc(C)nc(NC2CC(CC(=O)O)C23CCC3)n1
InChIInChI=1S/C15H21N3O2/c1-9-6-10(2)17-14(16-9)18-12-7-11(8-13(19)20)15(12)4-3-5-15/h6,11-12H,3-5,7-8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyWOUPEVSDCBTICP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds4

About 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid

2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid (PubChem CID 167820356) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid
PubChem CID167820356
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid
SMILESCc1cc(C)nc(NC2CC(CC(=O)O)C23CCC3)n1
InChIInChI=1S/C15H21N3O2/c1-9-6-10(2)17-14(16-9)18-12-7-11(8-13(19)20)15(12)4-3-5-15/h6,11-12H,3-5,7-8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyWOUPEVSDCBTICP-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4,6-dimethylpyrimidin-2-yl)amino]cyclobutyl]methanol
CID 115774262
N-(3-chloro-2,2-dimethylcyclobutyl)-4,6-dimethylpyrimidin-2-amine
CID 114632026
1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61292663
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982
6-methyl-2-[(2-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107553377
2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061743
2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107554123
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]pyrimidin-2-amine
CID 103736984
2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608328
2-[(4,6-dimethylpyrimidin-2-yl)amino]cycloheptane-1-carboxamide
CID 84592830
1-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107543146
2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid?
The IUPAC name of 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid (CID 167820356) is 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid is Cc1cc(C)nc(NC2CC(CC(=O)O)C23CCC3)n1.
What is the InChIKey of 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid?
The InChIKey is WOUPEVSDCBTICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-6-10(2)17-14(16-9)18-12-7-11(8-13(19)20)15(12)4-3-5-15/h6,11-12H,3-5,7-8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid?
2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]spiro[3.3]heptan-1-yl]acetic acid is sourced from PubChem (CID 167820356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).