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

C20H24N6 — CID 16910766

IUPAC2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NC3CCCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C20H24N6/c1-14-8-10-16(11-9-14)23-19-17-18(22-13-12-21-17)25-20(26-19)24-15-6-4-2-3-5-7-15/h8-13,15H,2-7H2,1H3,(H2,22,23,24,25,26)
InChIKeyXJWSNTCYHMXWGP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.61
Rot. Bonds4

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

2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine (PubChem CID 16910766) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
PubChem CID16910766
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NC3CCCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C20H24N6/c1-14-8-10-16(11-9-14)23-19-17-18(22-13-12-21-17)25-20(26-19)24-15-6-4-2-3-5-7-15/h8-13,15H,2-7H2,1H3,(H2,22,23,24,25,26)
InChIKeyXJWSNTCYHMXWGP-UHFFFAOYSA-N
XLogP4.61
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
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
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 44826614
4-N-(2,5-dimethylphenyl)-2-N-[(3R)-1,1-dioxothiolan-3-yl]pteridine-2,4-diamine
CID 52904705
2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910758
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27505620

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine (CID 16910766) is 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine is Cc1ccc(Nc2nc(NC3CCCCCC3)nc3nccnc23)cc1.
What is the InChIKey of 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The InChIKey is XJWSNTCYHMXWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-14-8-10-16(11-9-14)23-19-17-18(22-13-12-21-17)25-20(26-19)24-15-6-4-2-3-5-7-15/h8-13,15H,2-7H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine?
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).