6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine

C17H18ClN5O — CID 155517983

IUPAC6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCC(C)COc1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N
InChIInChI=1S/C17H18ClN5O/c1-9(2)8-24-13-5-3-4-12(18)14(13)11-6-10-7-21-17(20)23-16(10)22-15(11)19/h3-7,9H,8H2,1-2H3,(H4,19,20,21,22,23)
InChIKeyDHTUFHASLQFUIC-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.54
Rot. Bonds4

About 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine

6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 155517983) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID155517983
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCC(C)COc1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N
InChIInChI=1S/C17H18ClN5O/c1-9(2)8-24-13-5-3-4-12(18)14(13)11-6-10-7-21-17(20)23-16(10)22-15(11)19/h3-7,9H,8H2,1-2H3,(H4,19,20,21,22,23)
InChIKeyDHTUFHASLQFUIC-UHFFFAOYSA-N
XLogP3.54
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine (CID 155517983) is 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine is CC(C)COc1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N.
What is the InChIKey of 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is DHTUFHASLQFUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-9(2)8-24-13-5-3-4-12(18)14(13)11-6-10-7-21-17(20)23-16(10)22-15(11)19/h3-7,9H,8H2,1-2H3,(H4,19,20,21,22,23).
What are the key properties of 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 343.82 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 155517983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).