N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine

C12H16N4OS — CID 138050729

IUPACN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine
SMILESCOc1cc(CN(C)c2ncnc(C)c2C)sn1
InChIInChI=1S/C12H16N4OS/c1-8-9(2)13-7-14-12(8)16(3)6-10-5-11(17-4)15-18-10/h5,7H,6H2,1-4H3
InChIKeyKJBHOUADNNNTFG-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds4

About N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine

N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 138050729) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine
PubChem CID138050729
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine
SMILESCOc1cc(CN(C)c2ncnc(C)c2C)sn1
InChIInChI=1S/C12H16N4OS/c1-8-9(2)13-7-14-12(8)16(3)6-10-5-11(17-4)15-18-10/h5,7H,6H2,1-4H3
InChIKeyKJBHOUADNNNTFG-UHFFFAOYSA-N
XLogP2.19
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine
CID 167798321
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylcarbamoyl chloride
CID 165498652
2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
CID 166407535
(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride
CID 154857193
2-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 131050531
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
CID 122163314
6-chloro-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 63838232
2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
CID 166415337
6-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907283
6-chloro-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 63728106

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine (CID 138050729) is N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine is COc1cc(CN(C)c2ncnc(C)c2C)sn1.
What is the InChIKey of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is KJBHOUADNNNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-9(2)13-7-14-12(8)16(3)6-10-5-11(17-4)15-18-10/h5,7H,6H2,1-4H3.
What are the key properties of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine?
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 138050729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).