6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C20H26N6O — CID 166635267

IUPAC6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)cc3)nc12
InChIInChI=1S/C20H26N6O/c1-26(2)13-15-6-4-14(5-7-15)12-16-8-9-17-18(23-16)19(22-10-11-27-3)25-20(21)24-17/h4-9H,10-13H2,1-3H3,(H3,21,22,24,25)
InChIKeyUQHYCVOVYJQJOY-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.32
Rot. Bonds8

About 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 166635267) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID166635267
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)cc3)nc12
InChIInChI=1S/C20H26N6O/c1-26(2)13-15-6-4-14(5-7-15)12-16-8-9-17-18(23-16)19(22-10-11-27-3)25-20(21)24-17/h4-9H,10-13H2,1-3H3,(H3,21,22,24,25)
InChIKeyUQHYCVOVYJQJOY-UHFFFAOYSA-N
XLogP2.32
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 166635267) is 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)cc3)nc12.
What is the InChIKey of 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is UQHYCVOVYJQJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-26(2)13-15-6-4-14(5-7-15)12-16-8-9-17-18(23-16)19(22-10-11-27-3)25-20(21)24-17/h4-9H,10-13H2,1-3H3,(H3,21,22,24,25).
What are the key properties of 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 366.47 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 166635267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).