N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

C20H23FN4O2 — CID 137351770

IUPACN-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCO[C@@H]1CCC[C@H](Oc2cc(F)ccc2Nc2ncnc3ccn(C)c23)C1
InChIInChI=1S/C20H23FN4O2/c1-25-9-8-17-19(25)20(23-12-22-17)24-16-7-6-13(21)10-18(16)27-15-5-3-4-14(11-15)26-2/h6-10,12,14-15H,3-5,11H2,1-2H3,(H,22,23,24)/t14-,15+/m1/s1
InChIKeyDEQYCUFBKUBBRS-CABCVRRESA-N
MW370.43 g/mol
LogP4.19
Rot. Bonds5

About N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 137351770) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID137351770
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCO[C@@H]1CCC[C@H](Oc2cc(F)ccc2Nc2ncnc3ccn(C)c23)C1
InChIInChI=1S/C20H23FN4O2/c1-25-9-8-17-19(25)20(23-12-22-17)24-16-7-6-13(21)10-18(16)27-15-5-3-4-14(11-15)26-2/h6-10,12,14-15H,3-5,11H2,1-2H3,(H,22,23,24)/t14-,15+/m1/s1
InChIKeyDEQYCUFBKUBBRS-CABCVRRESA-N
XLogP4.19
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-N-[4-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 129116341
N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 137351930
methyl 4-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 140567670
4-[4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421506
7-[4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135390485
ethyl 4-[4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58421621
4-N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylquinazoline-4,7-diamine;methanethiol;methanol
CID 144623004
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 123715931
N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 137351485
N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 135334218
bis[(E)-[4-chloro-6-[4-fluoro-2-(3-methoxycyclobutyl)oxyanilino]pyrimidin-5-yl]methylideneamino] sulfate
CID 176884137

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 137351770) is N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is CO[C@@H]1CCC[C@H](Oc2cc(F)ccc2Nc2ncnc3ccn(C)c23)C1.
What is the InChIKey of N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is DEQYCUFBKUBBRS-CABCVRRESA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-25-9-8-17-19(25)20(23-12-22-17)24-16-7-6-13(21)10-18(16)27-15-5-3-4-14(11-15)26-2/h6-10,12,14-15H,3-5,11H2,1-2H3,(H,22,23,24)/t14-,15+/m1/s1.
What are the key properties of N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 370.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 137351770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).