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

C13H19N5O — CID 106378478

IUPAC5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1cnc(CNc2ncnc(NC)c2CC)o1
InChIInChI=1S/C13H19N5O/c1-4-9-6-15-11(19-9)7-16-13-10(5-2)12(14-3)17-8-18-13/h6,8H,4-5,7H2,1-3H3,(H2,14,16,17,18)
InChIKeyKVSLSPARNLWTKU-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.24
Rot. Bonds6

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

5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 106378478) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID106378478
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1cnc(CNc2ncnc(NC)c2CC)o1
InChIInChI=1S/C13H19N5O/c1-4-9-6-15-11(19-9)7-16-13-10(5-2)12(14-3)17-8-18-13/h6,8H,4-5,7H2,1-3H3,(H2,14,16,17,18)
InChIKeyKVSLSPARNLWTKU-UHFFFAOYSA-N
XLogP2.24
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
CID 106369356
5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80833185
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine
CID 114180765
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 106378473
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
6-N-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106378719
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine
CID 106373414

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine (CID 106378478) is 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine is CCc1cnc(CNc2ncnc(NC)c2CC)o1.
What is the InChIKey of 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is KVSLSPARNLWTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-9-6-15-11(19-9)7-16-13-10(5-2)12(14-3)17-8-18-13/h6,8H,4-5,7H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 261.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 106378478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).