(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C9H12IN3O — CID 163608970

IUPAC(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CCc2ncc(N(C)I)c(=O)n21
InChIInChI=1S/C9H12IN3O/c1-6-3-4-8-11-5-7(12(2)10)9(14)13(6)8/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyHEGLQDQFNHSNAL-ZCFIWIBFSA-N
MW305.12 g/mol
LogP1.54
Rot. Bonds1

About (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 163608970) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID163608970
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CCc2ncc(N(C)I)c(=O)n21
InChIInChI=1S/C9H12IN3O/c1-6-3-4-8-11-5-7(12(2)10)9(14)13(6)8/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyHEGLQDQFNHSNAL-ZCFIWIBFSA-N
XLogP1.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(5z)-2,3-Dimethyl-5-(pyrrolidin-1-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700608
(5z)-2,3-Dimethyl-5-(piperidin-1-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700618
6-Methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 10725517
(6R)-6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58700481
(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 93500089
6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142093582
carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 160931640
6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 176962970
ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 177013696
6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 21057241
(6S)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 93500090
(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142846945

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 163608970) is (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is C[C@@H]1CCc2ncc(N(C)I)c(=O)n21.
What is the InChIKey of (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is HEGLQDQFNHSNAL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-6-3-4-8-11-5-7(12(2)10)9(14)13(6)8/h5-6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 305.12 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163608970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).