6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione

C10H12N4OS — CID 106477617

IUPAC6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(-c2ccn(C)n2)[nH]1
InChIInChI=1S/C10H12N4OS/c1-14-4-3-8(13-14)10-11-7(6-15-2)5-9(16)12-10/h3-5H,6H2,1-2H3,(H,11,12,16)
InChIKeyUVLKFWOIKYGVPX-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.69
Rot. Bonds3

About 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106477617) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
PubChem CID106477617
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(-c2ccn(C)n2)[nH]1
InChIInChI=1S/C10H12N4OS/c1-14-4-3-8(13-14)10-11-7(6-15-2)5-9(16)12-10/h3-5H,6H2,1-2H3,(H,11,12,16)
InChIKeyUVLKFWOIKYGVPX-UHFFFAOYSA-N
XLogP1.69
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyethyl)[(1-methyl-1H-pyrazol-5-yl)methyl]amine
CID 43663120
N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N'-(2-methoxyethyl)thiourea
CID 2170796
3-(methoxymethyl)-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium
CID 18726722
2-(1-methylpyrazol-3-yl)-1H-pyrimidine-6-thione
CID 106476342
1-(2-Methoxyethyl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 17276866
1-[(2-Ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea
CID 19326956
1-[(1-Ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea
CID 19456040
(2-methoxyethyl)[(1-methyl-1H-pyrazol-3-yl)methyl]amine
CID 62997702
N-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 64455544
1-[1-(2-methoxyethyl)pyrazol-3-yl]-N-methylmethanamine
CID 64457315
N-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]ethanamine
CID 64457334
2-methoxy-N-[(1-propylpyrazol-3-yl)methyl]ethanamine
CID 64457992

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione (CID 106477617) is 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(-c2ccn(C)n2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is UVLKFWOIKYGVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-4-3-8(13-14)10-11-7(6-15-2)5-9(16)12-10/h3-5H,6H2,1-2H3,(H,11,12,16).
What are the key properties of 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 236.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).