7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine

C23H25ClF2N6O2 — CID 11271813

IUPAC7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCCOCCNc1nc2c(c(Nc3ccc(OC(F)F)cc3)n1)CCN(c1ncccc1Cl)C2
InChIInChI=1S/C23H25ClF2N6O2/c1-2-33-13-11-28-23-30-19-14-32(21-18(24)4-3-10-27-21)12-9-17(19)20(31-23)29-15-5-7-16(8-6-15)34-22(25)26/h3-8,10,22H,2,9,11-14H2,1H3,(H2,28,29,30,31)
InChIKeyUAASSXKWFIPCPT-UHFFFAOYSA-N
MW490.94 g/mol
LogP4.88
Rot. Bonds10

About 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine

7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 11271813) has the molecular formula C23H25ClF2N6O2 and a molecular weight of 490.94 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID11271813
Molecular FormulaC23H25ClF2N6O2
Molecular Weight490.94 g/mol
Exact Mass490.17
IUPAC Name7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCCOCCNc1nc2c(c(Nc3ccc(OC(F)F)cc3)n1)CCN(c1ncccc1Cl)C2
InChIInChI=1S/C23H25ClF2N6O2/c1-2-33-13-11-28-23-30-19-14-32(21-18(24)4-3-10-27-21)12-9-17(19)20(31-23)29-15-5-7-16(8-6-15)34-22(25)26/h3-8,10,22H,2,9,11-14H2,1H3,(H2,28,29,30,31)
InChIKeyUAASSXKWFIPCPT-UHFFFAOYSA-N
XLogP4.88
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.94
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine (CID 11271813) is 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine is CCOCCNc1nc2c(c(Nc3ccc(OC(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is UAASSXKWFIPCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N6O2/c1-2-33-13-11-28-23-30-19-14-32(21-18(24)4-3-10-27-21)12-9-17(19)20(31-23)29-15-5-7-16(8-6-15)34-22(25)26/h3-8,10,22H,2,9,11-14H2,1H3,(H2,28,29,30,31).
What are the key properties of 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 490.94 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 11271813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).