N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine

C18H19N3O2 — CID 131951741

IUPACN-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCCC(c2ccccc2)c2ccco2)n1
InChIInChI=1S/C18H19N3O2/c1-22-17-10-12-20-18(21-17)19-11-9-15(16-8-5-13-23-16)14-6-3-2-4-7-14/h2-8,10,12-13,15H,9,11H2,1H3,(H,19,20,21)
InChIKeyBNWDJUNGNCMPRJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine

N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine (PubChem CID 131951741) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
PubChem CID131951741
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCCC(c2ccccc2)c2ccco2)n1
InChIInChI=1S/C18H19N3O2/c1-22-17-10-12-20-18(21-17)19-11-9-15(16-8-5-13-23-16)14-6-3-2-4-7-14/h2-8,10,12-13,15H,9,11H2,1H3,(H,19,20,21)
InChIKeyBNWDJUNGNCMPRJ-UHFFFAOYSA-N
XLogP3.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine
CID 172904275
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 97454241
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine
CID 97089026
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine
CID 9320368
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine (CID 131951741) is N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCCC(c2ccccc2)c2ccco2)n1.
What is the InChIKey of N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine?
The InChIKey is BNWDJUNGNCMPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-17-10-12-20-18(21-17)19-11-9-15(16-8-5-13-23-16)14-6-3-2-4-7-14/h2-8,10,12-13,15H,9,11H2,1H3,(H,19,20,21).
What are the key properties of N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine?
N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine has a molecular weight of 309.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 131951741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).