pyrrolo[3,2-d]pyrimidin-1-amine

C6H6N4 — CID 163526464

IUPACpyrrolo[3,2-d]pyrimidin-1-amine
SMILESNn1cncc2nccc1-2
InChIInChI=1S/C6H6N4/c7-10-4-8-3-5-6(10)1-2-9-5/h1-4H,7H2
InChIKeyDPEVWOJTHYGEIZ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.10
Rot. Bonds

About pyrrolo[3,2-d]pyrimidin-1-amine

pyrrolo[3,2-d]pyrimidin-1-amine (PubChem CID 163526464) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is pyrrolo[3,2-d]pyrimidin-1-amine.

Molecular Properties

Compound Namepyrrolo[3,2-d]pyrimidin-1-amine
PubChem CID163526464
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Namepyrrolo[3,2-d]pyrimidin-1-amine
SMILESNn1cncc2nccc1-2
InChIInChI=1S/C6H6N4/c7-10-4-8-3-5-6(10)1-2-9-5/h1-4H,7H2
InChIKeyDPEVWOJTHYGEIZ-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-phenylpyrrolo[3,2-d]pyrimidine
CID 166509550
pyrazolo[4,3-d]pyrimidin-4-amine
CID 66750448
2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine
CID 90924652
pyrrolo[3,2-d]pyrimidin-3-amine
CID 152765611
1,5,8,11-tetrazatricyclo[5.2.2.02,6]undeca-2,4,6,8,10-pentaene
CID 131853054
3-aminoimidazole-4-carbaldehyde
CID 87279998
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
3-methyl-5-(4-methyl-2-pyridinyl)pyridine
CID 54101301
2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine
CID 57416125
methane;1-propan-2-ylimidazole;4-propan-2-ylpyrrolo[3,2-b]pyridine
CID 159677726

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-d]pyrimidin-1-amine?
The IUPAC name of pyrrolo[3,2-d]pyrimidin-1-amine (CID 163526464) is pyrrolo[3,2-d]pyrimidin-1-amine.
What is the SMILES notation for pyrrolo[3,2-d]pyrimidin-1-amine?
The canonical SMILES for pyrrolo[3,2-d]pyrimidin-1-amine is Nn1cncc2nccc1-2.
What is the InChIKey of pyrrolo[3,2-d]pyrimidin-1-amine?
The InChIKey is DPEVWOJTHYGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-10-4-8-3-5-6(10)1-2-9-5/h1-4H,7H2.
What are the key properties of pyrrolo[3,2-d]pyrimidin-1-amine?
pyrrolo[3,2-d]pyrimidin-1-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-1-amine is sourced from PubChem (CID 163526464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).