4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine

C15H18N4O — CID 80821761

IUPAC4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2Cc3ccccc3O2)ncn1
InChIInChI=1S/C15H18N4O/c1-2-16-14-8-15(19-10-18-14)17-9-12-7-11-5-3-4-6-13(11)20-12/h3-6,8,10,12H,2,7,9H2,1H3,(H2,16,17,18,19)
InChIKeyKMSVUIAHFYMZAC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.32
Rot. Bonds5

About 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine

4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80821761) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80821761
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2Cc3ccccc3O2)ncn1
InChIInChI=1S/C15H18N4O/c1-2-16-14-8-15(19-10-18-14)17-9-12-7-11-5-3-4-6-13(11)20-12/h3-6,8,10,12H,2,7,9H2,1H3,(H2,16,17,18,19)
InChIKeyKMSVUIAHFYMZAC-UHFFFAOYSA-N
XLogP2.32
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,5-diamine
CID 80652598
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80797490
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80903962
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80797379
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylpyridin-2-amine
CID 79718777
6-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547099
4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline
CID 66348583
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
CID 78988897
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80821761) is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NCC2Cc3ccccc3O2)ncn1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is KMSVUIAHFYMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-16-14-8-15(19-10-18-14)17-9-12-7-11-5-3-4-6-13(11)20-12/h3-6,8,10,12H,2,7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80821761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).