2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine

C20H24N6O — CID 16910827

IUPAC2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C20H24N6O/c1-27-16-10-8-15(9-11-16)23-19-17-18(22-13-12-21-17)25-20(26-19)24-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H2,22,23,24,25,26)
InChIKeyOXFBOAZWJVZAPP-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.31
Rot. Bonds5

About 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine

2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine (PubChem CID 16910827) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
PubChem CID16910827
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C20H24N6O/c1-27-16-10-8-15(9-11-16)23-19-17-18(22-13-12-21-17)25-20(26-19)24-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H2,22,23,24,25,26)
InChIKeyOXFBOAZWJVZAPP-UHFFFAOYSA-N
XLogP4.31
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine
CID 16910684
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910815
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 129304826
2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
CID 16911174
2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67718532
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine (CID 16910827) is 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine is COc1ccc(Nc2nc(NC3CCCCCC3)nc3nccnc23)cc1.
What is the InChIKey of 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine?
The InChIKey is OXFBOAZWJVZAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-27-16-10-8-15(9-11-16)23-19-17-18(22-13-12-21-17)25-20(26-19)24-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine?
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).