4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine

C25H29N9O — CID 70205206

IUPAC4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine
SMILESNC(=O)c1ccc(-c2ccnc(NCCNc3ccccn3)n2)cc1.NCCNc1ccccn1
InChIInChI=1S/C18H18N6O.C7H11N3/c19-17(25)14-6-4-13(5-7-14)15-8-10-22-18(24-15)23-12-11-21-16-3-1-2-9-20-16;8-4-6-10-7-3-1-2-5-9-7/h1-10H,11-12H2,(H2,19,25)(H,20,21)(H,22,23,24);1-3,5H,4,6,8H2,(H,9,10)
InChIKeyYISXMVUEODYCHO-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.61
Rot. Bonds10

About 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine

4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 70205206) has the molecular formula C25H29N9O and a molecular weight of 471.57 g/mol. Its IUPAC name is 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine
PubChem CID70205206
Molecular FormulaC25H29N9O
Molecular Weight471.57 g/mol
Exact Mass471.25
IUPAC Name4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine
SMILESNC(=O)c1ccc(-c2ccnc(NCCNc3ccccn3)n2)cc1.NCCNc1ccccn1
InChIInChI=1S/C18H18N6O.C7H11N3/c19-17(25)14-6-4-13(5-7-14)15-8-10-22-18(24-15)23-12-11-21-16-3-1-2-9-20-16;8-4-6-10-7-3-1-2-5-9-7/h1-10H,11-12H2,(H2,19,25)(H,20,21)(H,22,23,24);1-3,5H,4,6,8H2,(H,9,10)
InChIKeyYISXMVUEODYCHO-UHFFFAOYSA-N
XLogP2.61
TPSA156.76 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
CID 22142690
4-(2-aminopyrimidin-4-yl)benzamide;2-(pyridin-2-ylamino)acetonitrile
CID 174450012
N'-(5-nitro-4-phenylpyrimidin-2-yl)-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine;4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]benzamide
CID 87938588
N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
4-[2-[3-[(5-nitro-2-pyridinyl)amino]propylamino]pyrimidin-4-yl]benzamide
CID 22142855
N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine
CID 70159710
4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide
CID 22142652
4-[2-[3-[3-(trifluoromethyl)phenoxy]propylamino]pyrimidin-4-yl]benzamide
CID 22142551
4-[2-[3-(3-bromophenoxy)propylamino]pyrimidin-4-yl]benzamide
CID 22143006
4-[2-[2-(2-oxo-1,3-benzodioxol-5-yl)ethylamino]pyrimidin-4-yl]benzamide
CID 174426757
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
3-chloro-4-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 59588162

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine (CID 70205206) is 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine is NC(=O)c1ccc(-c2ccnc(NCCNc3ccccn3)n2)cc1.NCCNc1ccccn1.
What is the InChIKey of 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is YISXMVUEODYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O.C7H11N3/c19-17(25)14-6-4-13(5-7-14)15-8-10-22-18(24-15)23-12-11-21-16-3-1-2-9-20-16;8-4-6-10-7-3-1-2-5-9-7/h1-10H,11-12H2,(H2,19,25)(H,20,21)(H,22,23,24);1-3,5H,4,6,8H2,(H,9,10).
What are the key properties of 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine?
4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 471.57 g/mol, XLogP of 2.61, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 70205206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).