(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid

C12H16N4O3 — CID 97271863

IUPAC(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid
SMILESCc1nc(N(C)C)ncc1C(=O)N1CC[C@@H]1C(=O)O
InChIInChI=1S/C12H16N4O3/c1-7-8(6-13-12(14-7)15(2)3)10(17)16-5-4-9(16)11(18)19/h6,9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1
InChIKeyRBAAHIOBAGTYEL-SECBINFHSA-N
MW264.28 g/mol
LogP0.15
Rot. Bonds3

About (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid

(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid (PubChem CID 97271863) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid
PubChem CID97271863
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid
SMILESCc1nc(N(C)C)ncc1C(=O)N1CC[C@@H]1C(=O)O
InChIInChI=1S/C12H16N4O3/c1-7-8(6-13-12(14-7)15(2)3)10(17)16-5-4-9(16)11(18)19/h6,9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1
InChIKeyRBAAHIOBAGTYEL-SECBINFHSA-N
XLogP0.15
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
(3S,4S)-4-cyclopropyl-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 74238233
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125390
N-[2-[(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125389
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 133122270
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 125160143
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
(3aS,7aR)-2-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 72907773
N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70732353
1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone
CID 70720193

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid (CID 97271863) is (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid is Cc1nc(N(C)C)ncc1C(=O)N1CC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid?
The InChIKey is RBAAHIOBAGTYEL-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7-8(6-13-12(14-7)15(2)3)10(17)16-5-4-9(16)11(18)19/h6,9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid?
(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 97271863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).