5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide

C18H23N5O2 — CID 147606694

IUPAC5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N(C)CCO)nc2)c1
InChIInChI=1S/C18H23N5O2/c1-23(7-8-24)18-21-11-15(12-22-18)14-4-2-3-13(9-14)5-6-16(25)10-17(19)20/h2-4,9,11-12,24H,5-8,10H2,1H3,(H3,19,20)
InChIKeyGBEXADMUPHZNMG-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.40
Rot. Bonds9

About 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide

5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide (PubChem CID 147606694) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide.

Molecular Properties

Compound Name5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
PubChem CID147606694
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N(C)CCO)nc2)c1
InChIInChI=1S/C18H23N5O2/c1-23(7-8-24)18-21-11-15(12-22-18)14-4-2-3-13(9-14)5-6-16(25)10-17(19)20/h2-4,9,11-12,24H,5-8,10H2,1H3,(H3,19,20)
InChIKeyGBEXADMUPHZNMG-UHFFFAOYSA-N
XLogP1.40
TPSA116.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
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

5-[3-[2-(1,4-oxazepan-4-yl)pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
CID 153085217
5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
CID 148605981
5-[3-[2-[(1-methylbenzimidazol-2-yl)methylamino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
CID 162055831
3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide
CID 161222794
5-[3-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
CID 147693887
2-[4-[5-[3-(5-amino-5-imino-3-oxopentyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 152860867
3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide
CID 152789796
3-[[5-(4-bromophenyl)pyrimidin-2-yl]-methylamino]propanoic acid
CID 116977773
3-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]benzenecarboximidamide
CID 104606162
2-amino-5-[3-(3-hydroxypropyl)phenyl]pyridine-3-carboxamide
CID 126676205
methyl 3-[3-(2,6-dimethylphenyl)phenyl]propanimidate
CID 146182928
N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 116977474

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide?
The IUPAC name of 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide (CID 147606694) is 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide.
What is the SMILES notation for 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide?
The canonical SMILES for 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide is [H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N(C)CCO)nc2)c1.
What is the InChIKey of 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide?
The InChIKey is GBEXADMUPHZNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-23(7-8-24)18-21-11-15(12-22-18)14-4-2-3-13(9-14)5-6-16(25)10-17(19)20/h2-4,9,11-12,24H,5-8,10H2,1H3,(H3,19,20).
What are the key properties of 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide?
5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide has a molecular weight of 341.42 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide is sourced from PubChem (CID 147606694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).