4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

C13H24N4OS — CID 80809385

IUPAC4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)COC)nc(SC)n1
InChIInChI=1S/C13H24N4OS/c1-6-7-14-11-8-12(16-13(15-11)19-5)17(3)10(2)9-18-4/h8,10H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyJJIHKCMJTHJOMW-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.49
Rot. Bonds8

About 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80809385) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80809385
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)COC)nc(SC)n1
InChIInChI=1S/C13H24N4OS/c1-6-7-14-11-8-12(16-13(15-11)19-5)17(3)10(2)9-18-4/h8,10H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyJJIHKCMJTHJOMW-UHFFFAOYSA-N
XLogP2.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80815078
3-[methyl-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829045
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80961967
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 80767422
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80813692
4-N-methyl-2-methylsulfanyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791496
4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80901446
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (CID 80809385) is 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)C(C)COC)nc(SC)n1.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JJIHKCMJTHJOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-7-14-11-8-12(16-13(15-11)19-5)17(3)10(2)9-18-4/h8,10H,6-7,9H2,1-5H3,(H,14,15,16).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80809385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).