N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

C20H27N3O2 — CID 166382202

IUPACN-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
SMILESCCCCCCOc1cc(C)ccc1CNc1ncc2c(n1)COC2
InChIInChI=1S/C20H27N3O2/c1-3-4-5-6-9-25-19-10-15(2)7-8-16(19)11-21-20-22-12-17-13-24-14-18(17)23-20/h7-8,10,12H,3-6,9,11,13-14H2,1-2H3,(H,21,22,23)
InChIKeyLIRQDOXCLMPGLR-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.39
Rot. Bonds9

About N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (PubChem CID 166382202) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
PubChem CID166382202
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
SMILESCCCCCCOc1cc(C)ccc1CNc1ncc2c(n1)COC2
InChIInChI=1S/C20H27N3O2/c1-3-4-5-6-9-25-19-10-15(2)7-8-16(19)11-21-20-22-12-17-13-24-14-18(17)23-20/h7-8,10,12H,3-6,9,11,13-14H2,1-2H3,(H,21,22,23)
InChIKeyLIRQDOXCLMPGLR-UHFFFAOYSA-N
XLogP4.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-N-[(2-hexoxy-4-methylphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 166382161
2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 166382170
N-[(2-hexoxy-4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166382187
6-fluoro-N-[(2-hexoxy-4-methylphenyl)methyl]pyrimidin-4-amine
CID 167835773
7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine
CID 166247536
7-[(2-hexoxy-4-methylphenyl)methylamino]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 166382150
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
1,4-dimethyl-2-pentoxybenzene
CID 59184214
4-methyl-2-tetradecoxyphenol
CID 19014152
N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811545
N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119339535
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (CID 166382202) is N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is CCCCCCOc1cc(C)ccc1CNc1ncc2c(n1)COC2.
What is the InChIKey of N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The InChIKey is LIRQDOXCLMPGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-5-6-9-25-19-10-15(2)7-8-16(19)11-21-20-22-12-17-13-24-14-18(17)23-20/h7-8,10,12H,3-6,9,11,13-14H2,1-2H3,(H,21,22,23).
What are the key properties of N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine has a molecular weight of 341.45 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 166382202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).