2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide

C11H17N5O — CID 107550631

IUPAC2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C11H17N5O/c1-11(17)3-6-16(7-4-11)10-14-5-2-8(15-10)9(12)13/h2,5,17H,3-4,6-7H2,1H3,(H3,12,13)
InChIKeyWBTPBRRGIYLJLO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.11
Rot. Bonds2

About 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide

2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide (PubChem CID 107550631) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
PubChem CID107550631
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C11H17N5O/c1-11(17)3-6-16(7-4-11)10-14-5-2-8(15-10)9(12)13/h2,5,17H,3-4,6-7H2,1H3,(H3,12,13)
InChIKeyWBTPBRRGIYLJLO-UHFFFAOYSA-N
XLogP0.11
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550754
2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550685
2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide
CID 107550482
2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide
CID 107550546
5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 113321263
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
CID 107550740
4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 103356330
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide
CID 107550523
2-(3-ethoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550313
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 81096579
4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 103356372

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide (CID 107550631) is 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is WBTPBRRGIYLJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(17)3-6-16(7-4-11)10-14-5-2-8(15-10)9(12)13/h2,5,17H,3-4,6-7H2,1H3,(H3,12,13).
What are the key properties of 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide?
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).