4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine

C18H19N5O2 — CID 142152965

IUPAC4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine
SMILESCNc1nc(NCc2ccc3c(c2)OCC3)c(N)c(-c2ccco2)n1
InChIInChI=1S/C18H19N5O2/c1-20-18-22-16(13-3-2-7-24-13)15(19)17(23-18)21-10-11-4-5-12-6-8-25-14(12)9-11/h2-5,7,9H,6,8,10,19H2,1H3,(H2,20,21,22,23)
InChIKeyQYGIWMUVEPTEGF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.91
Rot. Bonds5

About 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine

4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine (PubChem CID 142152965) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine
PubChem CID142152965
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine
SMILESCNc1nc(NCc2ccc3c(c2)OCC3)c(N)c(-c2ccco2)n1
InChIInChI=1S/C18H19N5O2/c1-20-18-22-16(13-3-2-7-24-13)15(19)17(23-18)21-10-11-4-5-12-6-8-25-14(12)9-11/h2-5,7,9H,6,8,10,19H2,1H3,(H2,20,21,22,23)
InChIKeyQYGIWMUVEPTEGF-UHFFFAOYSA-N
XLogP2.91
TPSA98.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine with MolForge

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Related Compounds

6-(furan-2-yl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 46906950
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide
CID 71011241
N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidin-2-amine
CID 46953139
4-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-(furan-2-yl)-2-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 167544839
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
4-N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-N-methylpyrimidine-2,4-diamine
CID 80824431
2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile
CID 18507326
1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluorobenzene-1,2-diamine
CID 115127091

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine (CID 142152965) is 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine is CNc1nc(NCc2ccc3c(c2)OCC3)c(N)c(-c2ccco2)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine?
The InChIKey is QYGIWMUVEPTEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-20-18-22-16(13-3-2-7-24-13)15(19)17(23-18)21-10-11-4-5-12-6-8-25-14(12)9-11/h2-5,7,9H,6,8,10,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine?
4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine has a molecular weight of 337.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-6-(furan-2-yl)-2-N-methylpyrimidine-2,4,5-triamine is sourced from PubChem (CID 142152965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).