2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole

C20H21N5O2S — CID 71086206

IUPAC2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nnc(C3CC3)s2)nc1
InChIInChI=1S/C20H21N5O2S/c1-11-21-9-16(20-25-24-19(28-20)12-3-4-12)18(23-11)27-10-13-7-15(13)17-6-5-14(26-2)8-22-17/h5-6,8-9,12-13,15H,3-4,7,10H2,1-2H3/t13-,15+/m1/s1
InChIKeyAHQGHUJWEMWMPD-HIFRSBDPSA-N
MW395.49 g/mol
LogP3.77
Rot. Bonds7

About 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole (PubChem CID 71086206) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole
PubChem CID71086206
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nnc(C3CC3)s2)nc1
InChIInChI=1S/C20H21N5O2S/c1-11-21-9-16(20-25-24-19(28-20)12-3-4-12)18(23-11)27-10-13-7-15(13)17-6-5-14(26-2)8-22-17/h5-6,8-9,12-13,15H,3-4,7,10H2,1-2H3/t13-,15+/m1/s1
InChIKeyAHQGHUJWEMWMPD-HIFRSBDPSA-N
XLogP3.77
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

MK-8189
CID 71271414
5-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68031439
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71060924
4-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)pyrimidine
CID 71061106
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohex-3-en-1-ol
CID 71086089
5-fluoro-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 71271514
6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
CID 71274109
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 71274151
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrimidine
CID 71488707
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-prop-2-enylpyridin-2-one
CID 76073012
1-(2-methoxyethyl)-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 76073045

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole (CID 71086206) is 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nnc(C3CC3)s2)nc1.
What is the InChIKey of 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole?
The InChIKey is AHQGHUJWEMWMPD-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-11-21-9-16(20-25-24-19(28-20)12-3-4-12)18(23-11)27-10-13-7-15(13)17-6-5-14(26-2)8-22-17/h5-6,8-9,12-13,15H,3-4,7,10H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole has a molecular weight of 395.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 71086206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).