2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine

C14H15N3O — CID 75495386

IUPAC2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine
SMILESCc1ccc2c(c1)C(Nc1ccnc(C)n1)CO2
InChIInChI=1S/C14H15N3O/c1-9-3-4-13-11(7-9)12(8-18-13)17-14-5-6-15-10(2)16-14/h3-7,12H,8H2,1-2H3,(H,15,16,17)
InChIKeyRODUULJNTBPAOU-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine

2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine (PubChem CID 75495386) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine
PubChem CID75495386
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine
SMILESCc1ccc2c(c1)C(Nc1ccnc(C)n1)CO2
InChIInChI=1S/C14H15N3O/c1-9-3-4-13-11(7-9)12(8-18-13)17-14-5-6-15-10(2)16-14/h3-7,12H,8H2,1-2H3,(H,15,16,17)
InChIKeyRODUULJNTBPAOU-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
US9902722, Example 7
CID 118429852
5-[(4-Butoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 623352
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393192
6-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11717787
5-[(4-Ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112756
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393161
N4-[2-(4-Fluorophenoxy)ethyl]-N6-[(1S)-(1-phenylethyl)]pyrimidine-4,6-diamine
CID 44393171
(S)-N-(2-methoxyethyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886116
(S)-N-(4-aminobutyl)-N-(2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine (CID 75495386) is 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine is Cc1ccc2c(c1)C(Nc1ccnc(C)n1)CO2.
What is the InChIKey of 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine?
The InChIKey is RODUULJNTBPAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-3-4-13-11(7-9)12(8-18-13)17-14-5-6-15-10(2)16-14/h3-7,12H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine?
2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine has a molecular weight of 241.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 75495386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).