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

C13H18N4OS — CID 112636987

IUPAC4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCc2nc(C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-4-5-18-11-6-9(2)16-13(17-11)14-7-12-15-10(3)8-19-12/h6,8H,4-5,7H2,1-3H3,(H,14,16,17)
InChIKeyNFLINOCLXUPKAC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.95
Rot. Bonds6

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

4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine (PubChem CID 112636987) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
PubChem CID112636987
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCc2nc(C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-4-5-18-11-6-9(2)16-13(17-11)14-7-12-15-10(3)8-19-12/h6,8H,4-5,7H2,1-3H3,(H,14,16,17)
InChIKeyNFLINOCLXUPKAC-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112638235
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106374140
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine (CID 112636987) is 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCc2nc(C)cs2)n1.
What is the InChIKey of 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine?
The InChIKey is NFLINOCLXUPKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-5-18-11-6-9(2)16-13(17-11)14-7-12-15-10(3)8-19-12/h6,8H,4-5,7H2,1-3H3,(H,14,16,17).
What are the key properties of 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine?
4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 112636987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).