4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine

C10H18N4S — CID 80774863

IUPAC4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC)c1cc(N)nc(SC)n1
InChIInChI=1S/C10H18N4S/c1-4-6-14(5-2)9-7-8(11)12-10(13-9)15-3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyBFLHGXFKCZQNOG-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.02
Rot. Bonds5

About 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine

4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80774863) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80774863
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC)c1cc(N)nc(SC)n1
InChIInChI=1S/C10H18N4S/c1-4-6-14(5-2)9-7-8(11)12-10(13-9)15-3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyBFLHGXFKCZQNOG-UHFFFAOYSA-N
XLogP2.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80775488
4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775599
4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80851849
4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80776688
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737
4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80820334
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80821516
4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817452
4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4,6-triamine
CID 102998945
2-[(6-amino-2-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80796436
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671
2-N-ethyl-2-N-propylpyridine-2,4,5-triamine
CID 144872693

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine (CID 80774863) is 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine is CCCN(CC)c1cc(N)nc(SC)n1.
What is the InChIKey of 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is BFLHGXFKCZQNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-6-14(5-2)9-7-8(11)12-10(13-9)15-3/h7H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine?
4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 226.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80774863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).