4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C15H14ClN5O — CID 133409618

IUPAC4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCCOc3cccc(Cl)c3)ncnc2n1
InChIInChI=1S/C15H14ClN5O/c16-10-2-1-3-11(8-10)22-7-6-18-14-12-4-5-13(17)21-15(12)20-9-19-14/h1-5,8-9H,6-7H2,(H3,17,18,19,20,21)
InChIKeyKXEZSPUMNRDRMM-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.75
Rot. Bonds5

About 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133409618) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133409618
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCCOc3cccc(Cl)c3)ncnc2n1
InChIInChI=1S/C15H14ClN5O/c16-10-2-1-3-11(8-10)22-7-6-18-14-12-4-5-13(17)21-15(12)20-9-19-14/h1-5,8-9H,6-7H2,(H3,17,18,19,20,21)
InChIKeyKXEZSPUMNRDRMM-UHFFFAOYSA-N
XLogP2.75
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409681
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
6-chloro-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-4,5-diamine
CID 55134533
[4-[2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]methanol
CID 133434894
4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407866
4-N-[2-(1,3-benzothiazol-2-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86817522
4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133449329
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133396106
2-N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethylbutane-1,2-diamine
CID 119929206

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133409618) is 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCCOc3cccc(Cl)c3)ncnc2n1.
What is the InChIKey of 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is KXEZSPUMNRDRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-10-2-1-3-11(8-10)22-7-6-18-14-12-4-5-13(17)21-15(12)20-9-19-14/h1-5,8-9H,6-7H2,(H3,17,18,19,20,21).
What are the key properties of 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 315.76 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133409618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).