N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

C15H15FN4 — CID 166395190

IUPACN-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2ccn(C)c12)c1ccccc1F
InChIInChI=1S/C15H15FN4/c1-10(11-5-3-4-6-12(11)16)19-15-14-13(17-9-18-15)7-8-20(14)2/h3-10H,1-2H3,(H,17,18,19)/t10-/m0/s1
InChIKeyYFHXAJADBSUNAK-JTQLQIEISA-N
MW270.31 g/mol
LogP3.28
Rot. Bonds3

About N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 166395190) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID166395190
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC NameN-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2ccn(C)c12)c1ccccc1F
InChIInChI=1S/C15H15FN4/c1-10(11-5-3-4-6-12(11)16)19-15-14-13(17-9-18-15)7-8-20(14)2/h3-10H,1-2H3,(H,17,18,19)/t10-/m0/s1
InChIKeyYFHXAJADBSUNAK-JTQLQIEISA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 114072083
N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55855620
6-chloro-N-[1-(2-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63729819
4-N-[1-(2-fluorophenyl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 80802205
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-fluoroquinazolin-4-amine
CID 72839025
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 55080459
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 104839907
4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine
CID 62142318
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 166395190) is N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is C[C@H](Nc1ncnc2ccn(C)c12)c1ccccc1F.
What is the InChIKey of N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is YFHXAJADBSUNAK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FN4/c1-10(11-5-3-4-6-12(11)16)19-15-14-13(17-9-18-15)7-8-20(14)2/h3-10H,1-2H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 270.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166395190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).