6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride

C21H21ClN6O — CID 22112825

IUPAC6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride
SMILESCN(C)c1cc2c(Nc3ccc(OCc4ccccn4)cc3)ncnc2cn1.Cl
InChIInChI=1S/C21H20N6O.ClH/c1-27(2)20-11-18-19(12-23-20)24-14-25-21(18)26-15-6-8-17(9-7-15)28-13-16-5-3-4-10-22-16;/h3-12,14H,13H2,1-2H3,(H,24,25,26);1H
InChIKeyRQTPPFDVSSCBKE-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.23
Rot. Bonds6

About 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride

6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride (PubChem CID 22112825) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride
PubChem CID22112825
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC Name6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride
SMILESCN(C)c1cc2c(Nc3ccc(OCc4ccccn4)cc3)ncnc2cn1.Cl
InChIInChI=1S/C21H20N6O.ClH/c1-27(2)20-11-18-19(12-23-20)24-14-25-21(18)26-15-6-8-17(9-7-15)28-13-16-5-3-4-10-22-16;/h3-12,14H,13H2,1-2H3,(H,24,25,26);1H
InChIKeyRQTPPFDVSSCBKE-UHFFFAOYSA-N
XLogP4.23
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride with MolForge

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Related Compounds

4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 22112855
4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 141290878
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
(E)-N-[4-[3-bromo-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]pent-2-enamide
CID 118700641
(E)-4-(dimethylamino)-N-[4-[4-(pyridin-2-ylmethyl)anilino]pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide
CID 134150331
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188333
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 67730150
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoroquinazolin-4-amine
CID 141145307
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The IUPAC name of 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride (CID 22112825) is 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride.
What is the SMILES notation for 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The canonical SMILES for 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride is CN(C)c1cc2c(Nc3ccc(OCc4ccccn4)cc3)ncnc2cn1.Cl.
What is the InChIKey of 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The InChIKey is RQTPPFDVSSCBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.ClH/c1-27(2)20-11-18-19(12-23-20)24-14-25-21(18)26-15-6-8-17(9-7-15)28-13-16-5-3-4-10-22-16;/h3-12,14H,13H2,1-2H3,(H,24,25,26);1H.
What are the key properties of 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride is sourced from PubChem (CID 22112825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).