4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid

C10H10N4O2 — CID 103255594

IUPAC4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CNn1cccc1
InChIInChI=1S/C10H10N4O2/c15-10(16)8-5-11-7-12-9(8)6-13-14-3-1-2-4-14/h1-5,7,13H,6H2,(H,15,16)
InChIKeyNFGFIXWKAUXQBC-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.72
Rot. Bonds4

About 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid

4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid (PubChem CID 103255594) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid
PubChem CID103255594
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CNn1cccc1
InChIInChI=1S/C10H10N4O2/c15-10(16)8-5-11-7-12-9(8)6-13-14-3-1-2-4-14/h1-5,7,13H,6H2,(H,15,16)
InChIKeyNFGFIXWKAUXQBC-UHFFFAOYSA-N
XLogP0.72
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103263433
4-[(2-hydroxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103238229
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103247700
4-[(4-tert-butylanilino)methyl]pyrimidine-5-carboxylic acid
CID 103232165
4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106190742
4-[(2-methylbut-3-yn-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103252044
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
4-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid
CID 103257740
4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103245311
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103256332
4-[(2-carbamoyloxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103262153
4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 103248664

Frequently Asked Questions

What is the IUPAC name of 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid (CID 103255594) is 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1CNn1cccc1.
What is the InChIKey of 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is NFGFIXWKAUXQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)8-5-11-7-12-9(8)6-13-14-3-1-2-4-14/h1-5,7,13H,6H2,(H,15,16).
What are the key properties of 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid?
4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103255594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).