N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide

C14H25N5O — CID 121358646

IUPACN'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide
SMILESCC(C)CC1CC(=O)NC(/N=C(\N)N2CCCCC2)=N1
InChIInChI=1S/C14H25N5O/c1-10(2)8-11-9-12(20)17-14(16-11)18-13(15)19-6-4-3-5-7-19/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,20)
InChIKeySCQBTCKCBNMIBM-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.08
Rot. Bonds2

About N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide

N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide (PubChem CID 121358646) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide
PubChem CID121358646
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide
SMILESCC(C)CC1CC(=O)NC(/N=C(\N)N2CCCCC2)=N1
InChIInChI=1S/C14H25N5O/c1-10(2)8-11-9-12(20)17-14(16-11)18-13(15)19-6-4-3-5-7-19/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,20)
InChIKeySCQBTCKCBNMIBM-UHFFFAOYSA-N
XLogP1.08
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide?
The IUPAC name of N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide (CID 121358646) is N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide is CC(C)CC1CC(=O)NC(/N=C(\N)N2CCCCC2)=N1.
What is the InChIKey of N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide?
The InChIKey is SCQBTCKCBNMIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(2)8-11-9-12(20)17-14(16-11)18-13(15)19-6-4-3-5-7-19/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,20).
What are the key properties of N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide?
N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide has a molecular weight of 279.39 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide is sourced from PubChem (CID 121358646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).