4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid

C10H10N4O3S — CID 106382336

IUPAC4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H10N4O3S/c15-9(16)7-2-12-5-13-8(7)3-11-1-6-4-18-10(17)14-6/h2,4-5,11H,1,3H2,(H,14,17)(H,15,16)
InChIKeyMOVOJKJCOCBWBL-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.21
Rot. Bonds5

About 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid

4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 106382336) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
PubChem CID106382336
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H10N4O3S/c15-9(16)7-2-12-5-13-8(7)3-11-1-6-4-18-10(17)14-6/h2,4-5,11H,1,3H2,(H,14,17)(H,15,16)
InChIKeyMOVOJKJCOCBWBL-UHFFFAOYSA-N
XLogP0.21
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Butylamino)-4-methylpyrimidine-5-carboxylic acid
CID 66490403
4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973973
4-[(2,2,2-Trifluoroethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103235296
4-[(3,3,3-Trifluoropropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103250324
4-[(2,2-Difluoroethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103260408
4-[(4,4,4-Trifluorobutan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 105942251
4-[[(2,2-Difluoro-3-hydroxypropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106178188
4-[[[1-(Trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid
CID 106215272
4-[(2,2,3,3-Tetrafluoropropylamino)methyl]pyrimidine-5-carboxylic acid
CID 106294341
4-Methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]pyrimidine-5-carboxylic acid
CID 106429583
4-[[2-(Trifluoromethylsulfanyl)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 106430029
4-[(4,4,4-Trifluorobutylamino)methyl]pyrimidine-5-carboxylic acid
CID 113795589

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid (CID 106382336) is 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is MOVOJKJCOCBWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c15-9(16)7-2-12-5-13-8(7)3-11-1-6-4-18-10(17)14-6/h2,4-5,11H,1,3H2,(H,14,17)(H,15,16).
What are the key properties of 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 106382336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).