N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine

C12H11FN4 — CID 117100689

IUPACN-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESFc1cccc(Nc2ncc3c(n2)CNC3)c1
InChIInChI=1S/C12H11FN4/c13-9-2-1-3-10(4-9)16-12-15-6-8-5-14-7-11(8)17-12/h1-4,6,14H,5,7H2,(H,15,16,17)
InChIKeyOVVVIBOCPIROLC-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.96
Rot. Bonds2

About N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine

N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 117100689) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID117100689
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC NameN-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESFc1cccc(Nc2ncc3c(n2)CNC3)c1
InChIInChI=1S/C12H11FN4/c13-9-2-1-3-10(4-9)16-12-15-6-8-5-14-7-11(8)17-12/h1-4,6,14H,5,7H2,(H,15,16,17)
InChIKeyOVVVIBOCPIROLC-UHFFFAOYSA-N
XLogP1.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100690
N-(3-fluorophenyl)-5-iodopyrimidin-2-amine
CID 116648839
2-N-(3-fluorophenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
CID 142751224
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine
CID 90052148
methyl 2-[2-fluoro-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]acetate
CID 177364032
2-(2-bromo-5-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114016466
2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 16719433
N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324596
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
N-(3-fluorophenyl)-2H-tetrazol-5-amine
CID 130013830
5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 67281260

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (CID 117100689) is N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is Fc1cccc(Nc2ncc3c(n2)CNC3)c1.
What is the InChIKey of N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is OVVVIBOCPIROLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c13-9-2-1-3-10(4-9)16-12-15-6-8-5-14-7-11(8)17-12/h1-4,6,14H,5,7H2,(H,15,16,17).
What are the key properties of N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 230.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 117100689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).