N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine

C13H18N4OS — CID 112637612

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCc1csc(CCNc2nccc(OC(C)C)n2)n1
InChIInChI=1S/C13H18N4OS/c1-9(2)18-11-4-6-14-13(17-11)15-7-5-12-16-10(3)8-19-12/h4,6,8-9H,5,7H2,1-3H3,(H,14,15,17)
InChIKeyMAIWUGYSCBCMPY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112637612) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112637612
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCc1csc(CCNc2nccc(OC(C)C)n2)n1
InChIInChI=1S/C13H18N4OS/c1-9(2)18-11-4-6-14-13(17-11)15-7-5-12-16-10(3)8-19-12/h4,6,8-9H,5,7H2,1-3H3,(H,14,15,17)
InChIKeyMAIWUGYSCBCMPY-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827845
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106048968
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106404662
2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372427
N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638009
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N-[2-(2,4-dichlorophenyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115974417
N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637415

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine (CID 112637612) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine is Cc1csc(CCNc2nccc(OC(C)C)n2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is MAIWUGYSCBCMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9(2)18-11-4-6-14-13(17-11)15-7-5-12-16-10(3)8-19-12/h4,6,8-9H,5,7H2,1-3H3,(H,14,15,17).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112637612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).