2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride

C18H21ClN6O — CID 122602468

IUPAC2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)CNCc1cccc(-c2ccc3ncnc(N)c3n2)c1.Cl
InChIInChI=1S/C18H20N6O.ClH/c1-24(2)16(25)10-20-9-12-4-3-5-13(8-12)14-6-7-15-17(23-14)18(19)22-11-21-15;/h3-8,11,20H,9-10H2,1-2H3,(H2,19,21,22);1H
InChIKeyTVXARRLTWCQPHE-UHFFFAOYSA-N
MW372.86 g/mol
LogP1.87
Rot. Bonds5

About 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride

2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride (PubChem CID 122602468) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride
PubChem CID122602468
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)CNCc1cccc(-c2ccc3ncnc(N)c3n2)c1.Cl
InChIInChI=1S/C18H20N6O.ClH/c1-24(2)16(25)10-20-9-12-4-3-5-13(8-12)14-6-7-15-17(23-14)18(19)22-11-21-15;/h3-8,11,20H,9-10H2,1-2H3,(H2,19,21,22);1H
InChIKeyTVXARRLTWCQPHE-UHFFFAOYSA-N
XLogP1.87
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride?
The IUPAC name of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride (CID 122602468) is 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride.
What is the SMILES notation for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride?
The canonical SMILES for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride is CN(C)C(=O)CNCc1cccc(-c2ccc3ncnc(N)c3n2)c1.Cl.
What is the InChIKey of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride?
The InChIKey is TVXARRLTWCQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.ClH/c1-24(2)16(25)10-20-9-12-4-3-5-13(8-12)14-6-7-15-17(23-14)18(19)22-11-21-15;/h3-8,11,20H,9-10H2,1-2H3,(H2,19,21,22);1H.
What are the key properties of 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride?
2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 122602468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).