N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide

C34H34N14O4 — CID 87742066

IUPACN-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc(NC=O)cc3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3cccc(NC=O)c3)cnc2n1
InChIInChI=1S/2C17H17N7O2/c18-17-22-15-14(16(23-17)24-5-7-26-8-6-24)21-13(9-19-15)11-1-3-12(4-2-11)20-10-25;18-17-22-15-14(16(23-17)24-4-6-26-7-5-24)21-13(9-19-15)11-2-1-3-12(8-11)20-10-25/h1-4,9-10H,5-8H2,(H,20,25)(H2,18,19,22,23);1-3,8-10H,4-7H2,(H,20,25)(H2,18,19,22,23)
InChIKeyDDIUNCRSGBYYLP-UHFFFAOYSA-N
MW702.74 g/mol
LogP2.15
Rot. Bonds8

About N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide

N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide (PubChem CID 87742066) has the molecular formula C34H34N14O4 and a molecular weight of 702.74 g/mol. Its IUPAC name is N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide
PubChem CID87742066
Molecular FormulaC34H34N14O4
Molecular Weight702.74 g/mol
Exact Mass702.29
IUPAC NameN-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc(NC=O)cc3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3cccc(NC=O)c3)cnc2n1
InChIInChI=1S/2C17H17N7O2/c18-17-22-15-14(16(23-17)24-5-7-26-8-6-24)21-13(9-19-15)11-1-3-12(4-2-11)20-10-25;18-17-22-15-14(16(23-17)24-4-6-26-7-5-24)21-13(9-19-15)11-2-1-3-12(8-11)20-10-25/h1-4,9-10H,5-8H2,(H,20,25)(H2,18,19,22,23);1-3,8-10H,4-7H2,(H,20,25)(H2,18,19,22,23)
InChIKeyDDIUNCRSGBYYLP-UHFFFAOYSA-N
XLogP2.15
TPSA238.30 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.74
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide?
The IUPAC name of N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide (CID 87742066) is N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide.
What is the SMILES notation for N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide?
The canonical SMILES for N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide is Nc1nc(N2CCOCC2)c2nc(-c3ccc(NC=O)cc3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3cccc(NC=O)c3)cnc2n1.
What is the InChIKey of N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide?
The InChIKey is DDIUNCRSGBYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17N7O2/c18-17-22-15-14(16(23-17)24-5-7-26-8-6-24)21-13(9-19-15)11-1-3-12(4-2-11)20-10-25;18-17-22-15-14(16(23-17)24-4-6-26-7-5-24)21-13(9-19-15)11-2-1-3-12(8-11)20-10-25/h1-4,9-10H,5-8H2,(H,20,25)(H2,18,19,22,23);1-3,8-10H,4-7H2,(H,20,25)(H2,18,19,22,23).
What are the key properties of N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide?
N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide has a molecular weight of 702.74 g/mol, XLogP of 2.15, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide is sourced from PubChem (CID 87742066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).