5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine

C13H18N4O — CID 80833185

IUPAC5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCc1ccc(C)o1
InChIInChI=1S/C13H18N4O/c1-4-11-12(14-3)16-8-17-13(11)15-7-10-6-5-9(2)18-10/h5-6,8H,4,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyNHBPSUIIVOAKDR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.59
Rot. Bonds5

About 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80833185) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80833185
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCc1ccc(C)o1
InChIInChI=1S/C13H18N4O/c1-4-11-12(14-3)16-8-17-13(11)15-7-10-6-5-9(2)18-10/h5-6,8H,4,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyNHBPSUIIVOAKDR-UHFFFAOYSA-N
XLogP2.59
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80832158
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80804231
4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369011
5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80792894
5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
CID 80832556
6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800701
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
3-fluoro-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 62734741
2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80833191
5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 80802948

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine (CID 80833185) is 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NCc1ccc(C)o1.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is NHBPSUIIVOAKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-11-12(14-3)16-8-17-13(11)15-7-10-6-5-9(2)18-10/h5-6,8H,4,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80833185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).