6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine

C14H24N4OS — CID 129333149

IUPAC6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
SMILESCSC(C)(C)CNc1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C14H24N4OS/c1-14(2,20-3)9-15-12-7-13(17-10-16-12)18-11-5-4-6-19-8-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,15,16,17,18)/t11-/m1/s1
InChIKeyFFMYPSUHCHBPDY-LLVKDONJSA-N
MW296.44 g/mol
LogP2.62
Rot. Bonds6

About 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine

6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine (PubChem CID 129333149) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
PubChem CID129333149
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
SMILESCSC(C)(C)CNc1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C14H24N4OS/c1-14(2,20-3)9-15-12-7-13(17-10-16-12)18-11-5-4-6-19-8-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,15,16,17,18)/t11-/m1/s1
InChIKeyFFMYPSUHCHBPDY-LLVKDONJSA-N
XLogP2.62
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine (CID 129333149) is 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine is CSC(C)(C)CNc1cc(N[C@@H]2CCCOC2)ncn1.
What is the InChIKey of 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The InChIKey is FFMYPSUHCHBPDY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-14(2,20-3)9-15-12-7-13(17-10-16-12)18-11-5-4-6-19-8-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,15,16,17,18)/t11-/m1/s1.
What are the key properties of 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine has a molecular weight of 296.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 129333149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).