2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine

C13H18N4O — CID 80800278

IUPAC2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C13H18N4O/c1-4-14-13-15-8-7-12(17-13)16-10(3)11-6-5-9(2)18-11/h5-8,10H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyUNNWBAUTFWCDKV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds5

About 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine

2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80800278) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80800278
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C13H18N4O/c1-4-14-13-15-8-7-12(17-13)16-10(3)11-6-5-9(2)18-11/h5-8,10H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyUNNWBAUTFWCDKV-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801180
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800701
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
CID 80837494
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80800278) is 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine is CCNc1nccc(NC(C)c2ccc(C)o2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is UNNWBAUTFWCDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-14-13-15-8-7-12(17-13)16-10(3)11-6-5-9(2)18-11/h5-8,10H,4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80800278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).