6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C23H23N5O2 — CID 6481089

IUPAC6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
InChIInChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28)
InChIKeyDSEIBQNRLLYRRC-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.68
Rot. Bonds6

About 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 6481089) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID6481089
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
InChIInChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28)
InChIKeyDSEIBQNRLLYRRC-UHFFFAOYSA-N
XLogP3.68
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 6481089) is 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1.
What is the InChIKey of 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DSEIBQNRLLYRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28).
What are the key properties of 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 401.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 6481089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).