6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine

C12H20N4OS — CID 80890105

IUPAC6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(SC2CCOCC2)nc(N)n1
InChIInChI=1S/C12H20N4OS/c1-2-5-14-10-8-11(16-12(13)15-10)18-9-3-6-17-7-4-9/h8-9H,2-7H2,1H3,(H3,13,14,15,16)
InChIKeyGPOAOIMFJLRHEB-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.15
Rot. Bonds5

About 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine

6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80890105) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80890105
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(SC2CCOCC2)nc(N)n1
InChIInChI=1S/C12H20N4OS/c1-2-5-14-10-8-11(16-12(13)15-10)18-9-3-6-17-7-4-9/h8-9H,2-7H2,1H3,(H3,13,14,15,16)
InChIKeyGPOAOIMFJLRHEB-UHFFFAOYSA-N
XLogP2.15
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963
6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720339
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80883124
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
8-(oxan-4-ylsulfanyl)-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80889678
4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine
CID 126988373
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine
CID 80887611
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine (CID 80890105) is 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(SC2CCOCC2)nc(N)n1.
What is the InChIKey of 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is GPOAOIMFJLRHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-5-14-10-8-11(16-12(13)15-10)18-9-3-6-17-7-4-9/h8-9H,2-7H2,1H3,(H3,13,14,15,16).
What are the key properties of 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine?
6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 268.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80890105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).