N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide

C12H21N5O — CID 43517237

IUPACN'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
SMILESCc1cc(N(C)CC/C(N)=N/O)nc(C(C)C)n1
InChIInChI=1S/C12H21N5O/c1-8(2)12-14-9(3)7-11(15-12)17(4)6-5-10(13)16-18/h7-8,18H,5-6H2,1-4H3,(H2,13,16)
InChIKeyNOKZBZWCRYDRNQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.48
Rot. Bonds5

About N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide

N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide (PubChem CID 43517237) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
PubChem CID43517237
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
SMILESCc1cc(N(C)CC/C(N)=N/O)nc(C(C)C)n1
InChIInChI=1S/C12H21N5O/c1-8(2)12-14-9(3)7-11(15-12)17(4)6-5-10(13)16-18/h7-8,18H,5-6H2,1-4H3,(H2,13,16)
InChIKeyNOKZBZWCRYDRNQ-UHFFFAOYSA-N
XLogP1.48
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 54991803
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957937
2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 115868780
3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]propanethioamide
CID 60922430
3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 54993087
N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 136992386
3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide
CID 55175699
N,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133308441
2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 63644575
N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide
CID 76911452
N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 77126126
N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide
CID 43186264

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide (CID 43517237) is N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide is Cc1cc(N(C)CC/C(N)=N/O)nc(C(C)C)n1.
What is the InChIKey of N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The InChIKey is NOKZBZWCRYDRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)12-14-9(3)7-11(15-12)17(4)6-5-10(13)16-18/h7-8,18H,5-6H2,1-4H3,(H2,13,16).
What are the key properties of N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide has a molecular weight of 251.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide is sourced from PubChem (CID 43517237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).