(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

C15H23N3O2 — CID 122051785

IUPAC(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)c1cc(N2CCC[C@@H]2C(=O)O)nc(C(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-9(2)11-8-13(17-14(16-11)10(3)4)18-7-5-6-12(18)15(19)20/h8-10,12H,5-7H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyNTYOBBHFDYPHRA-GFCCVEGCSA-N
MW277.37 g/mol
LogP2.78
Rot. Bonds4

About (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 122051785) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID122051785
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)c1cc(N2CCC[C@@H]2C(=O)O)nc(C(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-9(2)11-8-13(17-14(16-11)10(3)4)18-7-5-6-12(18)15(19)20/h8-10,12H,5-7H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyNTYOBBHFDYPHRA-GFCCVEGCSA-N
XLogP2.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 110277695
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767469
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422241
(2S)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059747
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768578
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80960742
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80964808
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid (CID 122051785) is (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid is CC(C)c1cc(N2CCC[C@@H]2C(=O)O)nc(C(C)C)n1.
What is the InChIKey of (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is NTYOBBHFDYPHRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)11-8-13(17-14(16-11)10(3)4)18-7-5-6-12(18)15(19)20/h8-10,12H,5-7H2,1-4H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).