6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine

C10H18N4S — CID 80888448

IUPAC6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(SC(C)CC)nc(N)n1
InChIInChI=1S/C10H18N4S/c1-4-7(3)15-9-6-8(12-5-2)13-10(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyOIEDPEMOHMUXEZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.38
Rot. Bonds5

About 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine

6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 80888448) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine
PubChem CID80888448
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(SC(C)CC)nc(N)n1
InChIInChI=1S/C10H18N4S/c1-4-7(3)15-9-6-8(12-5-2)13-10(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyOIEDPEMOHMUXEZ-UHFFFAOYSA-N
XLogP2.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80892286
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706
N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80962750
3-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964216
methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
CID 80885529
3-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964135
6-N-ethyl-4-N-(2-methoxypropyl)pyrimidine-2,4,6-triamine
CID 102701909
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
CID 80892050
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888807
6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
CID 80818389

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine (CID 80888448) is 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(SC(C)CC)nc(N)n1.
What is the InChIKey of 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is OIEDPEMOHMUXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-7(3)15-9-6-8(12-5-2)13-10(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine?
6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 226.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80888448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).