4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine

C18H23N5O2 — CID 59634374

IUPAC4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine
SMILESCC1(C)OCc2c(N3CCOCC3)nc(-c3ccc(N)c(N)c3)nc21
InChIInChI=1S/C18H23N5O2/c1-18(2)15-12(10-25-18)17(23-5-7-24-8-6-23)22-16(21-15)11-3-4-13(19)14(20)9-11/h3-4,9H,5-8,10,19-20H2,1-2H3
InChIKeyGMZKGTMWUXZLAR-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.91
Rot. Bonds2

About 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine

4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine (PubChem CID 59634374) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine
PubChem CID59634374
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine
SMILESCC1(C)OCc2c(N3CCOCC3)nc(-c3ccc(N)c(N)c3)nc21
InChIInChI=1S/C18H23N5O2/c1-18(2)15-12(10-25-18)17(23-5-7-24-8-6-23)22-16(21-15)11-3-4-13(19)14(20)9-11/h3-4,9H,5-8,10,19-20H2,1-2H3
InChIKeyGMZKGTMWUXZLAR-UHFFFAOYSA-N
XLogP1.91
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine (CID 59634374) is 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine is CC1(C)OCc2c(N3CCOCC3)nc(-c3ccc(N)c(N)c3)nc21.
What is the InChIKey of 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine?
The InChIKey is GMZKGTMWUXZLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-18(2)15-12(10-25-18)17(23-5-7-24-8-6-23)22-16(21-15)11-3-4-13(19)14(20)9-11/h3-4,9H,5-8,10,19-20H2,1-2H3.
What are the key properties of 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine?
4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine has a molecular weight of 341.42 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidin-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 59634374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).