4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C12H17N5OS — CID 106378527

IUPAC4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCc1cnc(CNc2cc(NC)nc(SC)n2)o1
InChIInChI=1S/C12H17N5OS/c1-4-8-6-15-11(18-8)7-14-10-5-9(13-2)16-12(17-10)19-3/h5-6H,4,7H2,1-3H3,(H2,13,14,16,17)
InChIKeyCRERBLPGCXOKLH-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.40
Rot. Bonds6

About 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 106378527) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID106378527
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCc1cnc(CNc2cc(NC)nc(SC)n2)o1
InChIInChI=1S/C12H17N5OS/c1-4-8-6-15-11(18-8)7-14-10-5-9(13-2)16-12(17-10)19-3/h5-6H,4,7H2,1-3H3,(H2,13,14,16,17)
InChIKeyCRERBLPGCXOKLH-UHFFFAOYSA-N
XLogP2.40
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114181084
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 106378500
6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 106379019
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114181079
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80773056
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 106378527) is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CCc1cnc(CNc2cc(NC)nc(SC)n2)o1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is CRERBLPGCXOKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-8-6-15-11(18-8)7-14-10-5-9(13-2)16-12(17-10)19-3/h5-6H,4,7H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 279.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 106378527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).