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

C15H16N4O — CID 115265694

IUPAC4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2coc3ccccc23)ncn1
InChIInChI=1S/C15H16N4O/c1-2-16-14-7-15(19-10-18-14)17-8-11-9-20-13-6-4-3-5-12(11)13/h3-7,9-10H,2,8H2,1H3,(H2,16,17,18,19)
InChIKeyWXJQWSQRTYPWJC-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.27
Rot. Bonds5

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

4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 115265694) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID115265694
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2coc3ccccc23)ncn1
InChIInChI=1S/C15H16N4O/c1-2-16-14-7-15(19-10-18-14)17-8-11-9-20-13-6-4-3-5-12(11)13/h3-7,9-10H,2,8H2,1H3,(H2,16,17,18,19)
InChIKeyWXJQWSQRTYPWJC-UHFFFAOYSA-N
XLogP3.27
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile
CID 115143084
(3R,5R)-1-[6-(1-benzofuran-3-ylmethylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166285984
N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine
CID 103934299
N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
CID 80701760
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
N-(1-benzofuran-3-ylmethyl)quinolin-6-amine
CID 80700880
2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
CID 115124164
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
N-(1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 80700752

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine (CID 115265694) is 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NCc2coc3ccccc23)ncn1.
What is the InChIKey of 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is WXJQWSQRTYPWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-16-14-7-15(19-10-18-14)17-8-11-9-20-13-6-4-3-5-12(11)13/h3-7,9-10H,2,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).