6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine

C21H19N3O2 — CID 134138800

IUPAC6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3o2)cc1
InChIInChI=1S/C21H19N3O2/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(26-21(18)23-13-22-20)16-8-10-17(25-2)11-9-16/h3-14H,1-2H3,(H,22,23,24)/t14-/m1/s1
InChIKeyCNJOKJPWTYTGNS-CQSZACIVSA-N
MW345.40 g/mol
LogP5.07
Rot. Bonds5

About 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine

6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine (PubChem CID 134138800) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine
PubChem CID134138800
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3o2)cc1
InChIInChI=1S/C21H19N3O2/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(26-21(18)23-13-22-20)16-8-10-17(25-2)11-9-16/h3-14H,1-2H3,(H,22,23,24)/t14-/m1/s1
InChIKeyCNJOKJPWTYTGNS-CQSZACIVSA-N
XLogP5.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine (CID 134138800) is 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3o2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine?
The InChIKey is CNJOKJPWTYTGNS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(26-21(18)23-13-22-20)16-8-10-17(25-2)11-9-16/h3-14H,1-2H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine?
6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine has a molecular weight of 345.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134138800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).