6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

C10H14N4O — CID 90195081

IUPAC6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCn1cc2cc(CCCN)[nH]c2nc1=O
InChIInChI=1S/C10H14N4O/c1-14-6-7-5-8(3-2-4-11)12-9(7)13-10(14)15/h5-6H,2-4,11H2,1H3,(H,12,13,15)
InChIKeyXTXVPYQHBJIYGU-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.15
Rot. Bonds3

About 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 90195081) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID90195081
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCn1cc2cc(CCCN)[nH]c2nc1=O
InChIInChI=1S/C10H14N4O/c1-14-6-7-5-8(3-2-4-11)12-9(7)13-10(14)15/h5-6H,2-4,11H2,1H3,(H,12,13,15)
InChIKeyXTXVPYQHBJIYGU-UHFFFAOYSA-N
XLogP0.15
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 122544928
5-(3-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-yl)pentanimidamide
CID 58354064
6-(3-aminopropyl)-3-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 58354101
3-[5-(3-aminopropylamino)pentyl]-6-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 70645807
2-[3-[5-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)pentylamino]propyl]guanidine
CID 70645826
2-[3-[4-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine
CID 70645845
2-[3-[3-(6-tert-butyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propylamino]propyl]guanidine
CID 70645933
3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 118005067
3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 118005109
2-[3-[5-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)pentylamino]propyl]guanidine
CID 118527268
2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine
CID 118527308
3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 118527443

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 90195081) is 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is Cn1cc2cc(CCCN)[nH]c2nc1=O.
What is the InChIKey of 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is XTXVPYQHBJIYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14-6-7-5-8(3-2-4-11)12-9(7)13-10(14)15/h5-6H,2-4,11H2,1H3,(H,12,13,15).
What are the key properties of 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 90195081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).