2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine

C20H27N7 — CID 16910992

IUPAC2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
SMILESCCN(CC)CCNc1nc(Nc2cc(C)ccc2C)c2nccnc2n1
InChIInChI=1S/C20H27N7/c1-5-27(6-2)12-11-23-20-25-18-17(21-9-10-22-18)19(26-20)24-16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,22,23,24,25,26)
InChIKeyQPQQRJLSMOZKEK-UHFFFAOYSA-N
MW365.49 g/mol
LogP3.53
Rot. Bonds8

About 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine

2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine (PubChem CID 16910992) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
PubChem CID16910992
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
SMILESCCN(CC)CCNc1nc(Nc2cc(C)ccc2C)c2nccnc2n1
InChIInChI=1S/C20H27N7/c1-5-27(6-2)12-11-23-20-25-18-17(21-9-10-22-18)19(26-20)24-16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,22,23,24,25,26)
InChIKeyQPQQRJLSMOZKEK-UHFFFAOYSA-N
XLogP3.53
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
CID 16910978
4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
CID 16911002
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910921
4-N-(2,5-dimethylphenyl)-2-N-[(3R)-1,1-dioxothiolan-3-yl]pteridine-2,4-diamine
CID 52904705
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
4-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16911051
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
CID 16910970
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methylpropyl)pteridine-2,4-diamine
CID 16911069

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine (CID 16910992) is 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine is CCN(CC)CCNc1nc(Nc2cc(C)ccc2C)c2nccnc2n1.
What is the InChIKey of 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine?
The InChIKey is QPQQRJLSMOZKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-5-27(6-2)12-11-23-20-25-18-17(21-9-10-22-18)19(26-20)24-16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine?
2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine has a molecular weight of 365.49 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).