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

C12H11BrN4 — CID 117100690

IUPACN-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESBrc1cccc(Nc2ncc3c(n2)CNC3)c1
InChIInChI=1S/C12H11BrN4/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)
InChIKeyUZXOAVHHJGCVRG-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.59
Rot. Bonds2

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

N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 117100690) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID117100690
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC NameN-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESBrc1cccc(Nc2ncc3c(n2)CNC3)c1
InChIInChI=1S/C12H11BrN4/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)
InChIKeyUZXOAVHHJGCVRG-UHFFFAOYSA-N
XLogP2.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100689
3-N-(3-bromophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 72715731
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
N-(3-bromophenyl)-6-nitroquinazolin-2-amine
CID 142646683
5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761231
N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324596
2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740591
N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23536377
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
azepan-1-yl-[2-(3-bromoanilino)pyrimidin-5-yl]methanone
CID 109264922
4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100703

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (CID 117100690) is N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is Brc1cccc(Nc2ncc3c(n2)CNC3)c1.
What is the InChIKey of N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is UZXOAVHHJGCVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/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-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 291.15 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 117100690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).