N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine

C12H21N3S — CID 80947510

IUPACN-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1cc(NCC)nc(CCC)n1
InChIInChI=1S/C12H21N3S/c1-4-7-10-14-11(13-6-3)9-12(15-10)16-8-5-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyNGCXSSBTQKQVIU-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.36
Rot. Bonds7

About N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine

N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine (PubChem CID 80947510) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
PubChem CID80947510
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1cc(NCC)nc(CCC)n1
InChIInChI=1S/C12H21N3S/c1-4-7-10-14-11(13-6-3)9-12(15-10)16-8-5-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyNGCXSSBTQKQVIU-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
2-ethyl-N-methyl-6-propylsulfanylpyrimidin-4-amine
CID 80937028
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949863
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926
6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80947795
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
3-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80937744
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine (CID 80947510) is N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine is CCCSc1cc(NCC)nc(CCC)n1.
What is the InChIKey of N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine?
The InChIKey is NGCXSSBTQKQVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-7-10-14-11(13-6-3)9-12(15-10)16-8-5-2/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine?
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80947510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).