4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine

C9H16N4OS — CID 144995624

IUPAC4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCNc1nc(SC)nc(OC(C)C)c1N
InChIInChI=1S/C9H16N4OS/c1-5(2)14-8-6(10)7(11-3)12-9(13-8)15-4/h5H,10H2,1-4H3,(H,11,12,13)
InChIKeyMTTCAZCARGVWTO-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.61
Rot. Bonds4

About 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 144995624) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID144995624
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCNc1nc(SC)nc(OC(C)C)c1N
InChIInChI=1S/C9H16N4OS/c1-5(2)14-8-6(10)7(11-3)12-9(13-8)15-4/h5H,10H2,1-4H3,(H,11,12,13)
InChIKeyMTTCAZCARGVWTO-UHFFFAOYSA-N
XLogP1.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
CID 82455314
4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine
CID 130205757
4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine
CID 21059252
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride
CID 69051761
2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456285
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
CID 83867203
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 21077592
2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261396

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine (CID 144995624) is 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine is CNc1nc(SC)nc(OC(C)C)c1N.
What is the InChIKey of 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is MTTCAZCARGVWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-5(2)14-8-6(10)7(11-3)12-9(13-8)15-4/h5H,10H2,1-4H3,(H,11,12,13).
What are the key properties of 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 228.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 144995624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).