N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine

C10H17N3S — CID 80947430

IUPACN-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(SC)n1
InChIInChI=1S/C10H17N3S/c1-4-6-8-12-9(11-5-2)7-10(13-8)14-3/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyNNQNEQOHUWXZKU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.58
Rot. Bonds5

About N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine

N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine (PubChem CID 80947430) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
PubChem CID80947430
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(SC)n1
InChIInChI=1S/C10H17N3S/c1-4-6-8-12-9(11-5-2)7-10(13-8)14-3/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyNNQNEQOHUWXZKU-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
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
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine (CID 80947430) is N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(SC)n1.
What is the InChIKey of N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine?
The InChIKey is NNQNEQOHUWXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-6-8-12-9(11-5-2)7-10(13-8)14-3/h7H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine?
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80947430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).