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

C12H16N4OS — CID 50983729

IUPAC6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
SMILESCOc1cc(NCCCc2scnc2C)ncn1
InChIInChI=1S/C12H16N4OS/c1-9-10(18-8-16-9)4-3-5-13-11-6-12(17-2)15-7-14-11/h6-8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyMHZAKZXIJZPGHQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.29
Rot. Bonds6

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

6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine (PubChem CID 50983729) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
PubChem CID50983729
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
SMILESCOc1cc(NCCCc2scnc2C)ncn1
InChIInChI=1S/C12H16N4OS/c1-9-10(18-8-16-9)4-3-5-13-11-6-12(17-2)15-7-14-11/h6-8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyMHZAKZXIJZPGHQ-UHFFFAOYSA-N
XLogP2.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-5-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-1,3-thiazole
CID 172433499
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propan-2-ylpyrimidin-4-amine
CID 172438709
6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine
CID 50963601
4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine
CID 50980116
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine
CID 86797841
N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773708
6-[2-(4-Methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773709
5-fluoro-4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
CID 137338049
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 137343316
N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 50962840
N-[3-(2-Amino-1,3-thiazol-4-YL)propyl]-6-methoxypyrimidin-4-amine
CID 50985340
6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
CID 50954199

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine (CID 50983729) is 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine is COc1cc(NCCCc2scnc2C)ncn1.
What is the InChIKey of 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine?
The InChIKey is MHZAKZXIJZPGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-10(18-8-16-9)4-3-5-13-11-6-12(17-2)15-7-14-11/h6-8H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine?
6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 50983729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).