N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine

C20H15F3N6O — CID 51000563

IUPACN-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine
SMILESFC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc4nccnc34)cn2)cc1
InChIInChI=1S/C20H15F3N6O/c21-20(22,23)14-2-4-15(5-3-14)30-16-6-1-13(11-27-16)7-8-25-18-17-19(29-12-28-18)26-10-9-24-17/h1-6,9-12H,7-8H2,(H,25,26,28,29)
InChIKeyNBTGKZJCOGHAAW-UHFFFAOYSA-N
MW412.38 g/mol
LogP4.28
Rot. Bonds6

About N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine

N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine (PubChem CID 51000563) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine
PubChem CID51000563
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC NameN-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine
SMILESFC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc4nccnc34)cn2)cc1
InChIInChI=1S/C20H15F3N6O/c21-20(22,23)14-2-4-15(5-3-14)30-16-6-1-13(11-27-16)7-8-25-18-17-19(29-12-28-18)26-10-9-24-17/h1-6,9-12H,7-8H2,(H,25,26,28,29)
InChIKeyNBTGKZJCOGHAAW-UHFFFAOYSA-N
XLogP4.28
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N-cycloheptyl-6-(2-morpholinoethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 11337722
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoxalin-2-amine
CID 16748213
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328088
N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
4-(2-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 929925
4-(2-Fluorophenoxy)-2-(pyridin-4-yl)quinazoline
CID 930135
4-(4-Fluorophenoxy)-2-pyridin-2-ylquinazoline
CID 930136
4-Phenoxy-2-pyridin-2-ylquinazoline
CID 930617

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine (CID 51000563) is N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine is FC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc4nccnc34)cn2)cc1.
What is the InChIKey of N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine?
The InChIKey is NBTGKZJCOGHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c21-20(22,23)14-2-4-15(5-3-14)30-16-6-1-13(11-27-16)7-8-25-18-17-19(29-12-28-18)26-10-9-24-17/h1-6,9-12H,7-8H2,(H,25,26,28,29).
What are the key properties of N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine?
N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine has a molecular weight of 412.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 51000563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).