pyrrolo[3,2-d]pyrimidin-3-amine

C6H6N4 — CID 152765611

IUPACpyrrolo[3,2-d]pyrimidin-3-amine
SMILESNn1cnc2ccnc-2c1
InChIInChI=1S/C6H6N4/c7-10-3-6-5(9-4-10)1-2-8-6/h1-4H,7H2
InChIKeyPAINBTFMUOCQBL-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.10
Rot. Bonds

About pyrrolo[3,2-d]pyrimidin-3-amine

pyrrolo[3,2-d]pyrimidin-3-amine (PubChem CID 152765611) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is pyrrolo[3,2-d]pyrimidin-3-amine.

Molecular Properties

Compound Namepyrrolo[3,2-d]pyrimidin-3-amine
PubChem CID152765611
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Namepyrrolo[3,2-d]pyrimidin-3-amine
SMILESNn1cnc2ccnc-2c1
InChIInChI=1S/C6H6N4/c7-10-3-6-5(9-4-10)1-2-8-6/h1-4H,7H2
InChIKeyPAINBTFMUOCQBL-UHFFFAOYSA-N
XLogP0.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-aminoimidazol-4-ol
CID 69238537
pyrrolo[3,2-b]azepine
CID 66934182
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
pyrrolo[3,2-d]pyrimidin-1-amine
CID 163526464
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
CID 154703049
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
2-pyridin-2-ylpyridin-4-amine
CID 1236680
2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile
CID 90407660
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-d]pyrimidin-3-amine?
The IUPAC name of pyrrolo[3,2-d]pyrimidin-3-amine (CID 152765611) is pyrrolo[3,2-d]pyrimidin-3-amine.
What is the SMILES notation for pyrrolo[3,2-d]pyrimidin-3-amine?
The canonical SMILES for pyrrolo[3,2-d]pyrimidin-3-amine is Nn1cnc2ccnc-2c1.
What is the InChIKey of pyrrolo[3,2-d]pyrimidin-3-amine?
The InChIKey is PAINBTFMUOCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-10-3-6-5(9-4-10)1-2-8-6/h1-4H,7H2.
What are the key properties of pyrrolo[3,2-d]pyrimidin-3-amine?
pyrrolo[3,2-d]pyrimidin-3-amine has a molecular weight of 134.14 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-d]pyrimidin-3-amine is sourced from PubChem (CID 152765611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).