(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid

C16H25N5O3 — CID 72914892

IUPAC(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(c2cc(N3CCOCC3)nc(N)n2)C[C@H]1C(=O)O
InChIInChI=1S/C16H25N5O3/c1-2-3-11-9-21(10-12(11)15(22)23)14-8-13(18-16(17)19-14)20-4-6-24-7-5-20/h8,11-12H,2-7,9-10H2,1H3,(H,22,23)(H2,17,18,19)/t11-,12-/m1/s1
InChIKeyMWTFQDQZVWBJGO-VXGBXAGGSA-N
MW335.41 g/mol
LogP0.83
Rot. Bonds5

About (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid

(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 72914892) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid
PubChem CID72914892
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(c2cc(N3CCOCC3)nc(N)n2)C[C@H]1C(=O)O
InChIInChI=1S/C16H25N5O3/c1-2-3-11-9-21(10-12(11)15(22)23)14-8-13(18-16(17)19-14)20-4-6-24-7-5-20/h8,11-12H,2-7,9-10H2,1H3,(H,22,23)(H2,17,18,19)/t11-,12-/m1/s1
InChIKeyMWTFQDQZVWBJGO-VXGBXAGGSA-N
XLogP0.83
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
4-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 133123239
4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 121496507
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
CID 23993191
4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154838178
6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine
CID 95144373
1-[2-amino-6-(butylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048402
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 133110620
2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287463
(3S,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 72902224
2-amino-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone
CID 164974271

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid (CID 72914892) is (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid is CCC[C@@H]1CN(c2cc(N3CCOCC3)nc(N)n2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is MWTFQDQZVWBJGO-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-2-3-11-9-21(10-12(11)15(22)23)14-8-13(18-16(17)19-14)20-4-6-24-7-5-20/h8,11-12H,2-7,9-10H2,1H3,(H,22,23)(H2,17,18,19)/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 335.41 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72914892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).