4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine

C13H18N4OS — CID 112637867

IUPAC4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(C)c2nccs2)n1
InChIInChI=1S/C13H18N4OS/c1-4-6-18-11-8-9(2)15-13(17-11)16-10(3)12-14-5-7-19-12/h5,7-8,10H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyZMPLSIOOMZHKBO-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.20
Rot. Bonds6

About 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine

4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 112637867) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
PubChem CID112637867
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(C)c2nccs2)n1
InChIInChI=1S/C13H18N4OS/c1-4-6-18-11-8-9(2)15-13(17-11)16-10(3)12-14-5-7-19-12/h5,7-8,10H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyZMPLSIOOMZHKBO-UHFFFAOYSA-N
XLogP3.20
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80825241
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
CID 106282926
4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 115974776
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112636987
1-N,1-N,4-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)pentane-1,2-diamine
CID 115974797

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine (CID 112637867) is 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine is CCCOc1cc(C)nc(NC(C)c2nccs2)n1.
What is the InChIKey of 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is ZMPLSIOOMZHKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-6-18-11-8-9(2)15-13(17-11)16-10(3)12-14-5-7-19-12/h5,7-8,10H,4,6H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112637867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).