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

C14H21N5O — CID 80847941

IUPAC4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)c2c(C)noc2C)c1C
InChIInChI=1S/C14H21N5O/c1-6-15-13-8(2)14(17-7-16-13)18-9(3)12-10(4)19-20-11(12)5/h7,9H,6H2,1-5H3,(H2,15,16,17,18)
InChIKeyGBUNEDWGKJTCFA-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.99
Rot. Bonds5

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

4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80847941) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80847941
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)c2c(C)noc2C)c1C
InChIInChI=1S/C14H21N5O/c1-6-15-13-8(2)14(17-7-16-13)18-9(3)12-10(4)19-20-11(12)5/h7,9H,6H2,1-5H3,(H2,15,16,17,18)
InChIKeyGBUNEDWGKJTCFA-UHFFFAOYSA-N
XLogP2.99
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80814407
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686571
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133312029
5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 103468728
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80835417
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961715
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80847941) is 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NC(C)c2c(C)noc2C)c1C.
What is the InChIKey of 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is GBUNEDWGKJTCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-6-15-13-8(2)14(17-7-16-13)18-9(3)12-10(4)19-20-11(12)5/h7,9H,6H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 275.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80847941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).