N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine

C10H17N3S — CID 80885461

IUPACN-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1ncnc(SC(C)C)c1C
InChIInChI=1S/C10H17N3S/c1-5-11-9-8(4)10(13-6-12-9)14-7(2)3/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyGVLYXVZSIRUKBW-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.72
Rot. Bonds4

About N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine

N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80885461) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
PubChem CID80885461
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1ncnc(SC(C)C)c1C
InChIInChI=1S/C10H17N3S/c1-5-11-9-8(4)10(13-6-12-9)14-7(2)3/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyGVLYXVZSIRUKBW-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887110
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
6-N-ethyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701780
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
CID 80891443
N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine (CID 80885461) is N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine is CCNc1ncnc(SC(C)C)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is GVLYXVZSIRUKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-5-11-9-8(4)10(13-6-12-9)14-7(2)3/h6-7H,5H2,1-4H3,(H,11,12,13).
What are the key properties of N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80885461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).