formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate

C10H14N2O3 — CID 143873424

IUPACformaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
SMILESC=O.COC(=O)[C@@H]1CCC2=NC=CCN21
InChIInChI=1S/C9H12N2O2.CH2O/c1-13-9(12)7-3-4-8-10-5-2-6-11(7)8;1-2/h2,5,7H,3-4,6H2,1H3;1H2/t7-;/m0./s1
InChIKeyIPANLJBPAIGXDH-FJXQXJEOSA-N
MW210.23 g/mol
LogP0.36
Rot. Bonds1

About formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate

formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 143873424) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameformaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
PubChem CID143873424
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameformaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
SMILESC=O.COC(=O)[C@@H]1CCC2=NC=CCN21
InChIInChI=1S/C9H12N2O2.CH2O/c1-13-9(12)7-3-4-8-10-5-2-6-11(7)8;1-2/h2,5,7H,3-4,6H2,1H3;1H2/t7-;/m0./s1
InChIKeyIPANLJBPAIGXDH-FJXQXJEOSA-N
XLogP0.36
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl (6S)-4,6,7,8-tetrahydro-4-oxopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 57907453
methyl 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 68059136
Methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate
CID 123219468
4,6,7,8-Tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 141472787
sodium 1-formyl-5-[(Z)-prop-1-enyl]iminopyrrolidine-2-carboxylate
CID 145568787
Ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 151609230
ethyl (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 178137717
methyl (6S)-8-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 178137962
methyl (6R)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 178138377
methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 143873425
1-formyl-5-[(Z)-prop-1-enyl]iminopyrrolidine-2-carboxylic acid
CID 145568788

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate (CID 143873424) is formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate is C=O.COC(=O)[C@@H]1CCC2=NC=CCN21.
What is the InChIKey of formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is IPANLJBPAIGXDH-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H12N2O2.CH2O/c1-13-9(12)7-3-4-8-10-5-2-6-11(7)8;1-2/h2,5,7H,3-4,6H2,1H3;1H2/t7-;/m0./s1.
What are the key properties of formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate?
formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 143873424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).