4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C10H18N4S — CID 80776688

IUPAC4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCC(C)N(C)c1cc(N)nc(SC)n1
InChIInChI=1S/C10H18N4S/c1-5-7(2)14(3)9-6-8(11)12-10(13-9)15-4/h6-7H,5H2,1-4H3,(H2,11,12,13)
InChIKeyKSYGOROHCPEBFD-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.02
Rot. Bonds4

About 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80776688) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80776688
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCC(C)N(C)c1cc(N)nc(SC)n1
InChIInChI=1S/C10H18N4S/c1-5-7(2)14(3)9-6-8(11)12-10(13-9)15-4/h6-7H,5H2,1-4H3,(H2,11,12,13)
InChIKeyKSYGOROHCPEBFD-UHFFFAOYSA-N
XLogP2.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80776688) is 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CCC(C)N(C)c1cc(N)nc(SC)n1.
What is the InChIKey of 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is KSYGOROHCPEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-5-7(2)14(3)9-6-8(11)12-10(13-9)15-4/h6-7H,5H2,1-4H3,(H2,11,12,13).
What are the key properties of 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 226.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80776688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).