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

C10H12ClN5O — CID 58019812

IUPAC6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(Cl)nc12
InChIInChI=1S/C10H12ClN5O/c1-17-5-4-13-9-8-6(14-10(12)16-9)2-3-7(11)15-8/h2-3H,4-5H2,1H3,(H3,12,13,14,16)
InChIKeyDXZLLLZIROLYGX-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.32
Rot. Bonds4

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

6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 58019812) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID58019812
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(Cl)nc12
InChIInChI=1S/C10H12ClN5O/c1-17-5-4-13-9-8-6(14-10(12)16-9)2-3-7(11)15-8/h2-3H,4-5H2,1H3,(H3,12,13,14,16)
InChIKeyDXZLLLZIROLYGX-UHFFFAOYSA-N
XLogP1.32
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 58019812) is 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(N)nc2ccc(Cl)nc12.
What is the InChIKey of 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is DXZLLLZIROLYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-17-5-4-13-9-8-6(14-10(12)16-9)2-3-7(11)15-8/h2-3H,4-5H2,1H3,(H3,12,13,14,16).
What are the key properties of 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 253.69 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58019812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).