2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide

C10H15N5O2 — CID 107550744

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C10H15N5O2/c1-5-2-6(9(11)12)14-10(13-5)15-3-7(16)8(17)4-15/h2,7-8,16-17H,3-4H2,1H3,(H3,11,12)
InChIKeyJTODEOUDRVRQAF-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.39
Rot. Bonds2

About 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide

2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550744) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550744
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C10H15N5O2/c1-5-2-6(9(11)12)14-10(13-5)15-3-7(16)8(17)4-15/h2,7-8,16-17H,3-4H2,1H3,(H3,11,12)
InChIKeyJTODEOUDRVRQAF-UHFFFAOYSA-N
XLogP-1.39
TPSA119.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
CID 107550114
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550371
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550425
2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide
CID 107550765
2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550799
6-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidine-4-carboximidamide
CID 107550721
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
6-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550498
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide (CID 107550744) is 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is JTODEOUDRVRQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-5-2-6(9(11)12)14-10(13-5)15-3-7(16)8(17)4-15/h2,7-8,16-17H,3-4H2,1H3,(H3,11,12).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 237.26 g/mol, XLogP of -1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).