N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide

C10H14ClN5 — CID 43827118

IUPACN'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide
SMILESCc1cc(Cl)nc(/N=C(\N)N2CCCC2)n1
InChIInChI=1S/C10H14ClN5/c1-7-6-8(11)14-10(13-7)15-9(12)16-4-2-3-5-16/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyDXZHHTAZFFKACW-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.48
Rot. Bonds1

About N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide

N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide (PubChem CID 43827118) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide
PubChem CID43827118
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC NameN'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide
SMILESCc1cc(Cl)nc(/N=C(\N)N2CCCC2)n1
InChIInChI=1S/C10H14ClN5/c1-7-6-8(11)14-10(13-7)15-9(12)16-4-2-3-5-16/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyDXZHHTAZFFKACW-UHFFFAOYSA-N
XLogP1.48
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.48
H-Bond Donors ≤ 51
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-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide (CID 43827118) is N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide is Cc1cc(Cl)nc(/N=C(\N)N2CCCC2)n1.
What is the InChIKey of N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide?
The InChIKey is DXZHHTAZFFKACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-7-6-8(11)14-10(13-7)15-9(12)16-4-2-3-5-16/h6H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide?
N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide has a molecular weight of 239.71 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 43827118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).