N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C18H21FN4O2 — CID 137351485

IUPACN-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOCCn1ccc2ncnc(Nc3ccc(F)cc3OC(C)C)c21
InChIInChI=1S/C18H21FN4O2/c1-12(2)25-16-10-13(19)4-5-14(16)22-18-17-15(20-11-21-18)6-7-23(17)8-9-24-3/h4-7,10-12H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyXKHKDMBSKXQTDF-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.75
Rot. Bonds7

About N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine

N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 137351485) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID137351485
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOCCn1ccc2ncnc(Nc3ccc(F)cc3OC(C)C)c21
InChIInChI=1S/C18H21FN4O2/c1-12(2)25-16-10-13(19)4-5-14(16)22-18-17-15(20-11-21-18)6-7-23(17)8-9-24-3/h4-7,10-12H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyXKHKDMBSKXQTDF-UHFFFAOYSA-N
XLogP3.75
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 137351930
N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 135334218
5-(dimethylamino)-1-[4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylpyrrolo[3,2-d]pyrimidin-6-yl]pentan-1-one
CID 158645095
4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-piperazin-1-ylethyl)pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 137352519
N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 68792044
N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 137351770
2-[4-[2-chloro-3-[(3-fluorophenyl)methoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 90004837
N-[4-fluoro-2-[1-(2-methylimidazol-1-yl)propan-2-yloxy]phenyl]-5-methyl-7-thionitrosoquinazolin-4-amine
CID 134269316
4-N-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluorophenyl]-5-methylquinazoline-4,7-diamine
CID 134269464
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
(2R)-2-[2-[(7-bromo-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]propanoic acid
CID 130404372
7-(4-fluoro-2-propan-2-yloxyanilino)-N-(oxan-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 137350649

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 137351485) is N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine is COCCn1ccc2ncnc(Nc3ccc(F)cc3OC(C)C)c21.
What is the InChIKey of N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is XKHKDMBSKXQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12(2)25-16-10-13(19)4-5-14(16)22-18-17-15(20-11-21-18)6-7-23(17)8-9-24-3/h4-7,10-12H,8-9H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 344.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 137351485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).