[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C19H21N7OS — CID 110255631

IUPAC[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCCc1nnc(Nc2cc(C3CCCN3C(=O)c3cccnc3)nc(C)n2)s1
InChIInChI=1S/C19H21N7OS/c1-3-17-24-25-19(28-17)23-16-10-14(21-12(2)22-16)15-7-5-9-26(15)18(27)13-6-4-8-20-11-13/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3,(H,21,22,23,25)
InChIKeyGUCSGLHBVPQHSB-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.31
Rot. Bonds5

About [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110255631) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110255631
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCCc1nnc(Nc2cc(C3CCCN3C(=O)c3cccnc3)nc(C)n2)s1
InChIInChI=1S/C19H21N7OS/c1-3-17-24-25-19(28-17)23-16-10-14(21-12(2)22-16)15-7-5-9-26(15)18(27)13-6-4-8-20-11-13/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3,(H,21,22,23,25)
InChIKeyGUCSGLHBVPQHSB-UHFFFAOYSA-N
XLogP3.31
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 110255924
(E)-1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 132766671
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265059
(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95820547
5-ethyl-N-[2-methyl-6-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110111894
5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 125002208
5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820610
1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 124966605
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110113668
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816540
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412

Frequently Asked Questions

What is the IUPAC name of [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 110255631) is [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is CCc1nnc(Nc2cc(C3CCCN3C(=O)c3cccnc3)nc(C)n2)s1.
What is the InChIKey of [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is GUCSGLHBVPQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-3-17-24-25-19(28-17)23-16-10-14(21-12(2)22-16)15-7-5-9-26(15)18(27)13-6-4-8-20-11-13/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3,(H,21,22,23,25).
What are the key properties of [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 395.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110255631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).