2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine

C16H30N4S — CID 25130897

IUPAC2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(SCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C16H30N4S/c1-11(2)8-17-14-7-15(21-10-13(5)6)20-16(19-14)18-9-12(3)4/h7,11-13H,8-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyXZAAPUZHCDYNOR-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.36
Rot. Bonds9

About 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine

2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine (PubChem CID 25130897) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
PubChem CID25130897
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(SCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C16H30N4S/c1-11(2)8-17-14-7-15(21-10-13(5)6)20-16(19-14)18-9-12(3)4/h7,11-13H,8-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyXZAAPUZHCDYNOR-UHFFFAOYSA-N
XLogP4.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine (CID 25130897) is 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine is CC(C)CNc1cc(SCC(C)C)nc(NCC(C)C)n1.
What is the InChIKey of 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine?
The InChIKey is XZAAPUZHCDYNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-11(2)8-17-14-7-15(21-10-13(5)6)20-16(19-14)18-9-12(3)4/h7,11-13H,8-10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine?
2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine has a molecular weight of 310.51 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-methylpropyl)-6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25130897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).