5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C18H26N6OS — CID 95820610

IUPAC5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2cc([C@H]3CCCN3C3CCOCC3)nc(C)n2)s1
InChIInChI=1S/C18H26N6OS/c1-3-17-22-23-18(26-17)21-16-11-14(19-12(2)20-16)15-5-4-8-24(15)13-6-9-25-10-7-13/h11,13,15H,3-10H2,1-2H3,(H,19,20,21,23)/t15-/m1/s1
InChIKeyFQBQMBDOLVFWED-OAHLLOKOSA-N
MW374.51 g/mol
LogP3.26
Rot. Bonds5

About 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 95820610) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID95820610
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2cc([C@H]3CCCN3C3CCOCC3)nc(C)n2)s1
InChIInChI=1S/C18H26N6OS/c1-3-17-22-23-18(26-17)21-16-11-14(19-12(2)20-16)15-5-4-8-24(15)13-6-9-25-10-7-13/h11,13,15H,3-10H2,1-2H3,(H,19,20,21,23)/t15-/m1/s1
InChIKeyFQBQMBDOLVFWED-OAHLLOKOSA-N
XLogP3.26
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 95820334
2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 110255924
(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95820547
2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820602
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
[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110255631
(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
N-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820356
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265059
1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole
CID 110104266
N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110113625

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 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) is 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is CCc1nnc(Nc2cc([C@H]3CCCN3C3CCOCC3)nc(C)n2)s1.
What is the InChIKey of 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FQBQMBDOLVFWED-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-3-17-22-23-18(26-17)21-16-11-14(19-12(2)20-16)15-5-4-8-24(15)13-6-9-25-10-7-13/h11,13,15H,3-10H2,1-2H3,(H,19,20,21,23)/t15-/m1/s1.
What are the key properties of 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 374.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95820610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).